(1S)-1-cyclopropyl-1-(2-methylphenyl)ethanol

C12H16O — CID 93311996

IUPAC(1S)-1-cyclopropyl-1-(2-methylphenyl)ethanol
SMILESCc1ccccc1[C@@](C)(O)C1CC1
InChIInChI=1S/C12H16O/c1-9-5-3-4-6-11(9)12(2,13)10-7-8-10/h3-6,10,13H,7-8H2,1-2H3/t12-/m0/s1
InChIKeyKSOXSLBTUCDLDF-LBPRGKRZSA-N
MW176.26 g/mol
LogP2.61
Rot. Bonds2

About (1S)-1-cyclopropyl-1-(2-methylphenyl)ethanol

(1S)-1-cyclopropyl-1-(2-methylphenyl)ethanol (PubChem CID 93311996) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is (1S)-1-cyclopropyl-1-(2-methylphenyl)ethanol.

Molecular Properties

Compound Name(1S)-1-cyclopropyl-1-(2-methylphenyl)ethanol
PubChem CID93311996
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name(1S)-1-cyclopropyl-1-(2-methylphenyl)ethanol
SMILESCc1ccccc1[C@@](C)(O)C1CC1
InChIInChI=1S/C12H16O/c1-9-5-3-4-6-11(9)12(2,13)10-7-8-10/h3-6,10,13H,7-8H2,1-2H3/t12-/m0/s1
InChIKeyKSOXSLBTUCDLDF-LBPRGKRZSA-N
XLogP2.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S)-1-cyclopropyl-1-(2-methylphenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclohexyl-1-(2-methylphenyl)ethanol
CID 43810036
(1R)-1-cyclopropyl-1-(2,3-dimethylphenyl)ethanol
CID 94483384
2-(1-cyclopropyl-1-hydroxyethyl)phenol
CID 115015171
1-(2-methylphenyl)-1-pyrrolidin-3-ylethanol
CID 105457980
1-cyclopropyl-1-(2,4-dimethylphenyl)ethanol
CID 62801339
1-(2,3-dimethylphenyl)-1-piperidin-4-ylethanol
CID 82290402
1-(2-ethylcyclohexyl)-1-(2-methylphenyl)ethanol
CID 55251269
2-(1-cyclopropyl-1-hydroxyethyl)-6-methoxyphenol
CID 118899137
2-[2-(1-cyclobutyl-1-hydroxyethyl)phenyl]acetic acid
CID 115040193
1-(2-methylphenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol
CID 79901777
(1S)-1-cyclopropyl-1-(3-methylphenyl)ethanol
CID 93311992
1-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethanol
CID 114794872

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclopropyl-1-(2-methylphenyl)ethanol?
The IUPAC name of (1S)-1-cyclopropyl-1-(2-methylphenyl)ethanol (CID 93311996) is (1S)-1-cyclopropyl-1-(2-methylphenyl)ethanol.
What is the SMILES notation for (1S)-1-cyclopropyl-1-(2-methylphenyl)ethanol?
The canonical SMILES for (1S)-1-cyclopropyl-1-(2-methylphenyl)ethanol is Cc1ccccc1[C@@](C)(O)C1CC1.
What is the InChIKey of (1S)-1-cyclopropyl-1-(2-methylphenyl)ethanol?
The InChIKey is KSOXSLBTUCDLDF-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H16O/c1-9-5-3-4-6-11(9)12(2,13)10-7-8-10/h3-6,10,13H,7-8H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-1-cyclopropyl-1-(2-methylphenyl)ethanol?
(1S)-1-cyclopropyl-1-(2-methylphenyl)ethanol has a molecular weight of 176.26 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclopropyl-1-(2-methylphenyl)ethanol is sourced from PubChem (CID 93311996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).