4-cyclopropyl-2-methyl-1-phenylbutan-1-one

C14H18O — CID 104845058

IUPAC4-cyclopropyl-2-methyl-1-phenylbutan-1-one
SMILESCC(CCC1CC1)C(=O)c1ccccc1
InChIInChI=1S/C14H18O/c1-11(7-8-12-9-10-12)14(15)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3
InChIKeyOUCIUKDPVBVHCM-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.70
Rot. Bonds5

About 4-cyclopropyl-2-methyl-1-phenylbutan-1-one

4-cyclopropyl-2-methyl-1-phenylbutan-1-one (PubChem CID 104845058) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 4-cyclopropyl-2-methyl-1-phenylbutan-1-one.

Molecular Properties

Compound Name4-cyclopropyl-2-methyl-1-phenylbutan-1-one
PubChem CID104845058
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name4-cyclopropyl-2-methyl-1-phenylbutan-1-one
SMILESCC(CCC1CC1)C(=O)c1ccccc1
InChIInChI=1S/C14H18O/c1-11(7-8-12-9-10-12)14(15)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3
InChIKeyOUCIUKDPVBVHCM-UHFFFAOYSA-N
XLogP3.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1,4-diphenylbutan-1-one
CID 11413736
2-methyl-1-phenyl-3-(4-propylpiperidin-1-yl)propan-1-one
CID 62612164
5-hydroxy-2-methyl-1-phenylpentan-1-one
CID 67106278
5-ethoxy-2-methyl-1-phenylpentan-1-one
CID 104845070
(3S)-3-methyl-4-oxo-4-phenylbutanoic acid
CID 51900528
3-methyl-4-oxo-4-phenylbutanoic acid
CID 12559087
2-amino-3-cyclopropyl-1-phenylpropan-1-one
CID 82404437
(2S)-2-methyl-3-[4-[(2R)-2-methyl-3-oxo-3-phenylpropyl]piperazin-1-yl]-1-phenylpropan-1-one
CID 92774232
4-(4-methoxyphenyl)-2-methyl-1-phenylbutan-1-one
CID 104845102
2-methyl-3-(4-methylpiperidin-1-yl)-1-phenylpropan-1-one
CID 3599580
2-methyl-5-methylsulfonyl-1-phenylpentan-1-one
CID 104844968
3-(2,6-dimethylmorpholin-4-yl)-2-methyl-1-phenylpropan-1-one
CID 55094936

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-methyl-1-phenylbutan-1-one?
The IUPAC name of 4-cyclopropyl-2-methyl-1-phenylbutan-1-one (CID 104845058) is 4-cyclopropyl-2-methyl-1-phenylbutan-1-one.
What is the SMILES notation for 4-cyclopropyl-2-methyl-1-phenylbutan-1-one?
The canonical SMILES for 4-cyclopropyl-2-methyl-1-phenylbutan-1-one is CC(CCC1CC1)C(=O)c1ccccc1.
What is the InChIKey of 4-cyclopropyl-2-methyl-1-phenylbutan-1-one?
The InChIKey is OUCIUKDPVBVHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-11(7-8-12-9-10-12)14(15)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3.
What are the key properties of 4-cyclopropyl-2-methyl-1-phenylbutan-1-one?
4-cyclopropyl-2-methyl-1-phenylbutan-1-one has a molecular weight of 202.30 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-methyl-1-phenylbutan-1-one is sourced from PubChem (CID 104845058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).