2-(3-methylphenyl)-1-(1-phenylcyclopentyl)ethanone

C20H22O — CID 63410082

IUPAC2-(3-methylphenyl)-1-(1-phenylcyclopentyl)ethanone
SMILESCc1cccc(CC(=O)C2(c3ccccc3)CCCC2)c1
InChIInChI=1S/C20H22O/c1-16-8-7-9-17(14-16)15-19(21)20(12-5-6-13-20)18-10-3-2-4-11-18/h2-4,7-11,14H,5-6,12-13,15H2,1H3
InChIKeyCXMXEDRWOOWKHP-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.62
Rot. Bonds4

About 2-(3-methylphenyl)-1-(1-phenylcyclopentyl)ethanone

2-(3-methylphenyl)-1-(1-phenylcyclopentyl)ethanone (PubChem CID 63410082) has the molecular formula C20H22O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1-(1-phenylcyclopentyl)ethanone.

Molecular Properties

Compound Name2-(3-methylphenyl)-1-(1-phenylcyclopentyl)ethanone
PubChem CID63410082
Molecular FormulaC20H22O
Molecular Weight278.40 g/mol
Exact Mass278.17
IUPAC Name2-(3-methylphenyl)-1-(1-phenylcyclopentyl)ethanone
SMILESCc1cccc(CC(=O)C2(c3ccccc3)CCCC2)c1
InChIInChI=1S/C20H22O/c1-16-8-7-9-17(14-16)15-19(21)20(12-5-6-13-20)18-10-3-2-4-11-18/h2-4,7-11,14H,5-6,12-13,15H2,1H3
InChIKeyCXMXEDRWOOWKHP-UHFFFAOYSA-N
XLogP4.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,4-dimethylphenyl)-1-(1-phenylcyclopropyl)ethanone
CID 62880387
1-(1-aminocyclobutyl)-2-(3-methylphenyl)ethanone
CID 116598493
2-(3-methylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone
CID 79058182
1-(1-phenylcyclopentyl)propan-1-one
CID 63080096
1-(3-methylphenyl)-3-phenylpropan-2-one
CID 14882321
2-phenyl-1-(4-phenyloxan-4-yl)ethanone
CID 63082189
[(3R)-1-[3-(3-methylphenyl)-2-oxopropyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 1-phenylcycloheptane-1-carboxylate bromide
CID 162025016
2-(furan-3-yl)-1-(1-phenylcyclobutyl)ethanone
CID 83171826
1-(1-adamantyl)-2-(3-methylphenyl)ethanone
CID 62389784
2-[3-[(1-phenylcyclopentanecarbonyl)amino]phenyl]acetic acid
CID 119352047
2-(4-iodophenyl)-1-(1-phenylcyclopropyl)ethanone
CID 65479105
2-methoxy-1-(1-phenylcyclohexyl)ethanone
CID 79567283

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1-(1-phenylcyclopentyl)ethanone?
The IUPAC name of 2-(3-methylphenyl)-1-(1-phenylcyclopentyl)ethanone (CID 63410082) is 2-(3-methylphenyl)-1-(1-phenylcyclopentyl)ethanone.
What is the SMILES notation for 2-(3-methylphenyl)-1-(1-phenylcyclopentyl)ethanone?
The canonical SMILES for 2-(3-methylphenyl)-1-(1-phenylcyclopentyl)ethanone is Cc1cccc(CC(=O)C2(c3ccccc3)CCCC2)c1.
What is the InChIKey of 2-(3-methylphenyl)-1-(1-phenylcyclopentyl)ethanone?
The InChIKey is CXMXEDRWOOWKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O/c1-16-8-7-9-17(14-16)15-19(21)20(12-5-6-13-20)18-10-3-2-4-11-18/h2-4,7-11,14H,5-6,12-13,15H2,1H3.
What are the key properties of 2-(3-methylphenyl)-1-(1-phenylcyclopentyl)ethanone?
2-(3-methylphenyl)-1-(1-phenylcyclopentyl)ethanone has a molecular weight of 278.40 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1-(1-phenylcyclopentyl)ethanone is sourced from PubChem (CID 63410082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).