(2-Cyclopropylphenyl)methanol

CAS Number: 118184-68-2
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OCc1c(C2CC2)cccc1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C10H12O
Molecular Weight
148.204
Drug-likeness
-0.47095
CAS
118184-68-2
InChI key
CWSNJUBFYCZZRO-UHFFFAOYSA-N
SMILES
OCc1c(C2CC2)cccc1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 118184-68-2
Molecule Name (2-Cyclopropylphenyl)methanol
Molecular Formula C10H12O
SMILES OCc1c(C2CC2)cccc1
InChI InChI=1S/C10H12O/c11-7-9-3-1-2-4-10(9)8-5-6-8/h1-4,8,11H,5-7H2
InChI Key CWSNJUBFYCZZRO-UHFFFAOYSA-N
CanonicalSyTyLFy 7305ad6bc9ce6fb2
TotalMolweight 148.204
Molecular Weight 148.204
MonoisotopicMass 148.088815
CLogP 2.1731
CLogS -2.457
H Acceptors 1
H Donors 1
TotalSurfaceArea 119.89
Relative PSA 0.10927
PolarSurfaceArea 20.23
Drug-likeness -0.47095
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.54545
Molecula Flexibility 0.36949
Molecular Complexity 0.6452
Fragments 1
Non HAtoms 11
NonCHAtoms 1
Electronegative Atoms 1
Rotatable Bond 2
Rings Closures 2
Small Rings 2
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 5
Symmetricatoms 1

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