1-[2-(3-methylphenyl)ethyl]cyclopropan-1-ol

C12H16O — CID 62668960

IUPAC1-[2-(3-methylphenyl)ethyl]cyclopropan-1-ol
SMILESCc1cccc(CCC2(O)CC2)c1
InChIInChI=1S/C12H16O/c1-10-3-2-4-11(9-10)5-6-12(13)7-8-12/h2-4,9,13H,5-8H2,1H3
InChIKeyOSZSLZBHQISNRJ-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.45
Rot. Bonds3

About 1-[2-(3-methylphenyl)ethyl]cyclopropan-1-ol

1-[2-(3-methylphenyl)ethyl]cyclopropan-1-ol (PubChem CID 62668960) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-[2-(3-methylphenyl)ethyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[2-(3-methylphenyl)ethyl]cyclopropan-1-ol
PubChem CID62668960
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name1-[2-(3-methylphenyl)ethyl]cyclopropan-1-ol
SMILESCc1cccc(CCC2(O)CC2)c1
InChIInChI=1S/C12H16O/c1-10-3-2-4-11(9-10)5-6-12(13)7-8-12/h2-4,9,13H,5-8H2,1H3
InChIKeyOSZSLZBHQISNRJ-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[2-(3-methylphenyl)ethyl]cyclopropan-1-ol 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-[2-(3-bromophenyl)ethyl]cyclopropan-1-ol
CID 84702390
2-methyl-1-[2-(3-methylphenyl)ethyl]cyclopropan-1-ol
CID 79332898
1-[2-(3-bromophenyl)ethyl]cyclopentan-1-ol
CID 115073744
4,4-dimethyl-1-[(3-methylphenyl)methyl]cycloheptan-1-ol
CID 65085894
1-methyl-3-[8-(3-methylphenyl)octyl]benzene
CID 22920080
1-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclohexan-1-ol
CID 65107241
2-(3-methylphenyl)ethanolate
CID 142208639
1-[(3-methylphenyl)methyl]cyclopropan-1-amine
CID 23106077
N-[(4-hydroxythian-4-yl)methyl]-3-(3-methylphenyl)propanamide
CID 111484634
2-(3-methylphenyl)ethanamine;hydrochloride
CID 47003273
1-methyl-4-(2-phenylethyl)piperidin-4-ol
CID 10751359
1-(3,5-dimethylphenyl)-3-[1-[2-(3-methylphenyl)ethyl]cyclopentyl]thiourea
CID 100765123

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylphenyl)ethyl]cyclopropan-1-ol?
The IUPAC name of 1-[2-(3-methylphenyl)ethyl]cyclopropan-1-ol (CID 62668960) is 1-[2-(3-methylphenyl)ethyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[2-(3-methylphenyl)ethyl]cyclopropan-1-ol?
The canonical SMILES for 1-[2-(3-methylphenyl)ethyl]cyclopropan-1-ol is Cc1cccc(CCC2(O)CC2)c1.
What is the InChIKey of 1-[2-(3-methylphenyl)ethyl]cyclopropan-1-ol?
The InChIKey is OSZSLZBHQISNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-10-3-2-4-11(9-10)5-6-12(13)7-8-12/h2-4,9,13H,5-8H2,1H3.
What are the key properties of 1-[2-(3-methylphenyl)ethyl]cyclopropan-1-ol?
1-[2-(3-methylphenyl)ethyl]cyclopropan-1-ol has a molecular weight of 176.26 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylphenyl)ethyl]cyclopropan-1-ol is sourced from PubChem (CID 62668960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).