(1R)-1-cyclopropyl-2-(4-methylphenyl)ethanol

C12H16O — CID 39236667

IUPAC(1R)-1-cyclopropyl-2-(4-methylphenyl)ethanol
SMILESCc1ccc(C[C@@H](O)C2CC2)cc1
InChIInChI=1S/C12H16O/c1-9-2-4-10(5-3-9)8-12(13)11-6-7-11/h2-5,11-13H,6-8H2,1H3/t12-/m1/s1
InChIKeyOBGVNAJPYDPQPG-GFCCVEGCSA-N
MW176.26 g/mol
LogP2.31
Rot. Bonds3

About (1R)-1-cyclopropyl-2-(4-methylphenyl)ethanol

(1R)-1-cyclopropyl-2-(4-methylphenyl)ethanol (PubChem CID 39236667) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is (1R)-1-cyclopropyl-2-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name(1R)-1-cyclopropyl-2-(4-methylphenyl)ethanol
PubChem CID39236667
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name(1R)-1-cyclopropyl-2-(4-methylphenyl)ethanol
SMILESCc1ccc(C[C@@H](O)C2CC2)cc1
InChIInChI=1S/C12H16O/c1-9-2-4-10(5-3-9)8-12(13)11-6-7-11/h2-5,11-13H,6-8H2,1H3/t12-/m1/s1
InChIKeyOBGVNAJPYDPQPG-GFCCVEGCSA-N
XLogP2.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-methylphenyl)-1-(thiolan-3-yl)ethanol
CID 105077394
2-(4-tert-butylphenyl)-1-cyclopropylethanol
CID 62608769
2-(4-ethylphenyl)-1-(4-methylcyclohexyl)ethanol
CID 63410677
1-cyclobutyl-2-(4-ethylphenyl)ethanol
CID 64986891
1-cyclopropyl-2-(4-methylphenyl)ethanamine
CID 60818816
1-cyclopropyl-2-pyridin-4-ylethanol
CID 63352817
1-cyclopropyl-1-methoxy-3-(4-methylphenyl)propan-2-ol
CID 116712560
2-(3-bromo-4-methylphenyl)-1-cyclopropylethanol
CID 130608339
(1R)-1-cyclopentyl-2-(4-phenylphenyl)ethanol
CID 167627883
1-cyclopropyl-2-(2,5-dimethylphenyl)ethanol
CID 61481966
2-(3-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
CID 65424884
2-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanol
CID 63410724

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclopropyl-2-(4-methylphenyl)ethanol?
The IUPAC name of (1R)-1-cyclopropyl-2-(4-methylphenyl)ethanol (CID 39236667) is (1R)-1-cyclopropyl-2-(4-methylphenyl)ethanol.
What is the SMILES notation for (1R)-1-cyclopropyl-2-(4-methylphenyl)ethanol?
The canonical SMILES for (1R)-1-cyclopropyl-2-(4-methylphenyl)ethanol is Cc1ccc(C[C@@H](O)C2CC2)cc1.
What is the InChIKey of (1R)-1-cyclopropyl-2-(4-methylphenyl)ethanol?
The InChIKey is OBGVNAJPYDPQPG-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H16O/c1-9-2-4-10(5-3-9)8-12(13)11-6-7-11/h2-5,11-13H,6-8H2,1H3/t12-/m1/s1.
What are the key properties of (1R)-1-cyclopropyl-2-(4-methylphenyl)ethanol?
(1R)-1-cyclopropyl-2-(4-methylphenyl)ethanol has a molecular weight of 176.26 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclopropyl-2-(4-methylphenyl)ethanol is sourced from PubChem (CID 39236667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).