(2-Methoxyphenyl)(phenyl)phosphane

CAS Number: 92025-78-0
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COc(cccc1)c1Pc1ccccc1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C13H13OP
Molecular Weight
216.219
Drug-likeness
-6.9746
CAS
92025-78-0
InChI key
SUUQYVCQNGGMBA-UHFFFAOYSA-N
SMILES
COc(cccc1)c1Pc1ccccc1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 92025-78-0
Molecule Name (2-Methoxyphenyl)(phenyl)phosphane
Molecular Formula C13H13OP
SMILES COc(cccc1)c1Pc1ccccc1
InChI InChI=1S/C13H13OP/c1-14-12-9-5-6-10-13(12)15-11-7-3-2-4-8-11/h2-10,15H,1H3
InChI Key SUUQYVCQNGGMBA-UHFFFAOYSA-N
CanonicalSyTyLFy 635ef2a0369c658
TotalMolweight 216.219
Molecular Weight 216.219
MonoisotopicMass 216.070402
CLogP 3.2542
CLogS -3.562
H Acceptors 1
TotalSurfaceArea 155.28
Relative PSA 0.0644
PolarSurfaceArea 9.23
Drug-likeness -6.9746
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.6
Molecula Flexibility 0.40357
Molecular Complexity 0.55597
Fragments 1
Non HAtoms 15
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 3
Rings Closures 2
Small Rings 2
Aromatic Rings 2
Aromatic Atoms 12
Sp3Atoms 3
Symmetricatoms 2

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