[1-methyl-2-[1-(4-methylphenyl)ethyl]cyclopropyl]methanol

C14H20O — CID 78427816

IUPAC[1-methyl-2-[1-(4-methylphenyl)ethyl]cyclopropyl]methanol
SMILESCc1ccc(C(C)C2CC2(C)CO)cc1
InChIInChI=1S/C14H20O/c1-10-4-6-12(7-5-10)11(2)13-8-14(13,3)9-15/h4-7,11,13,15H,8-9H2,1-3H3
InChIKeyWSLUPPIQIXDGJJ-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.12
Rot. Bonds3

About [1-methyl-2-[1-(4-methylphenyl)ethyl]cyclopropyl]methanol

[1-methyl-2-[1-(4-methylphenyl)ethyl]cyclopropyl]methanol (PubChem CID 78427816) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is [1-methyl-2-[1-(4-methylphenyl)ethyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-methyl-2-[1-(4-methylphenyl)ethyl]cyclopropyl]methanol
PubChem CID78427816
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name[1-methyl-2-[1-(4-methylphenyl)ethyl]cyclopropyl]methanol
SMILESCc1ccc(C(C)C2CC2(C)CO)cc1
InChIInChI=1S/C14H20O/c1-10-4-6-12(7-5-10)11(2)13-8-14(13,3)9-15/h4-7,11,13,15H,8-9H2,1-3H3
InChIKeyWSLUPPIQIXDGJJ-UHFFFAOYSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [1-methyl-2-[1-(4-methylphenyl)ethyl]cyclopropyl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-methyl-2-[1-(4-methylphenyl)ethyl]cyclopropyl]methanol?
The IUPAC name of [1-methyl-2-[1-(4-methylphenyl)ethyl]cyclopropyl]methanol (CID 78427816) is [1-methyl-2-[1-(4-methylphenyl)ethyl]cyclopropyl]methanol.
What is the SMILES notation for [1-methyl-2-[1-(4-methylphenyl)ethyl]cyclopropyl]methanol?
The canonical SMILES for [1-methyl-2-[1-(4-methylphenyl)ethyl]cyclopropyl]methanol is Cc1ccc(C(C)C2CC2(C)CO)cc1.
What is the InChIKey of [1-methyl-2-[1-(4-methylphenyl)ethyl]cyclopropyl]methanol?
The InChIKey is WSLUPPIQIXDGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-10-4-6-12(7-5-10)11(2)13-8-14(13,3)9-15/h4-7,11,13,15H,8-9H2,1-3H3.
What are the key properties of [1-methyl-2-[1-(4-methylphenyl)ethyl]cyclopropyl]methanol?
[1-methyl-2-[1-(4-methylphenyl)ethyl]cyclopropyl]methanol has a molecular weight of 204.31 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-2-[1-(4-methylphenyl)ethyl]cyclopropyl]methanol is sourced from PubChem (CID 78427816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).