1-[1-(3-methylphenyl)cyclopropyl]butan-1-one

C14H18O — CID 142382203

IUPAC1-[1-(3-methylphenyl)cyclopropyl]butan-1-one
SMILESCCCC(=O)C1(c2cccc(C)c2)CC1
InChIInChI=1S/C14H18O/c1-3-5-13(15)14(8-9-14)12-7-4-6-11(2)10-12/h4,6-7,10H,3,5,8-9H2,1-2H3
InChIKeyRIEFOYHTRXZLEA-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.40
Rot. Bonds4

About 1-[1-(3-methylphenyl)cyclopropyl]butan-1-one

1-[1-(3-methylphenyl)cyclopropyl]butan-1-one (PubChem CID 142382203) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-[1-(3-methylphenyl)cyclopropyl]butan-1-one.

Molecular Properties

Compound Name1-[1-(3-methylphenyl)cyclopropyl]butan-1-one
PubChem CID142382203
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name1-[1-(3-methylphenyl)cyclopropyl]butan-1-one
SMILESCCCC(=O)C1(c2cccc(C)c2)CC1
InChIInChI=1S/C14H18O/c1-3-5-13(15)14(8-9-14)12-7-4-6-11(2)10-12/h4,6-7,10H,3,5,8-9H2,1-2H3
InChIKeyRIEFOYHTRXZLEA-UHFFFAOYSA-N
XLogP3.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[1-(3-methylphenyl)cyclopropyl]butan-1-one 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-(3-methylphenyl)cyclopropane-1-carbohydrazide
CID 116844219
methyl 1-(3-methylphenyl)cyclopropane-1-carboxylate
CID 105444214
1-(3-methylphenyl)cyclopent-3-ene-1-carboxylic acid
CID 65353598
1-(1-hydroxy-4-phenylpiperidin-4-yl)butan-1-one
CID 91605385
1-[1-(3-methylphenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168328
ethyl 3-(3-methylphenyl)azetidine-3-carboxylate
CID 170322404
2-[[1-(3-methylphenyl)cyclobutanecarbonyl]-propylamino]acetic acid
CID 61012880
methyl 1-(3-methylphenyl)cyclobutane-1-carboxylate
CID 112724218
2-(3-methylphenyl)-1-(1-phenylcyclopentyl)ethanone
CID 63410082
ethyl 4-oxo-4-(1-phenylcyclopropyl)butanoate
CID 66323170
N-[2-(ethylamino)ethyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 119507604
N-(4-methylcyclohexyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 32668077

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methylphenyl)cyclopropyl]butan-1-one?
The IUPAC name of 1-[1-(3-methylphenyl)cyclopropyl]butan-1-one (CID 142382203) is 1-[1-(3-methylphenyl)cyclopropyl]butan-1-one.
What is the SMILES notation for 1-[1-(3-methylphenyl)cyclopropyl]butan-1-one?
The canonical SMILES for 1-[1-(3-methylphenyl)cyclopropyl]butan-1-one is CCCC(=O)C1(c2cccc(C)c2)CC1.
What is the InChIKey of 1-[1-(3-methylphenyl)cyclopropyl]butan-1-one?
The InChIKey is RIEFOYHTRXZLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-3-5-13(15)14(8-9-14)12-7-4-6-11(2)10-12/h4,6-7,10H,3,5,8-9H2,1-2H3.
What are the key properties of 1-[1-(3-methylphenyl)cyclopropyl]butan-1-one?
1-[1-(3-methylphenyl)cyclopropyl]butan-1-one has a molecular weight of 202.30 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methylphenyl)cyclopropyl]butan-1-one is sourced from PubChem (CID 142382203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).