1-(cyclopenten-1-yl)-2-(4-methylphenyl)ethanone

C14H16O — CID 62080493

IUPAC1-(cyclopenten-1-yl)-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)C2=CCCC2)cc1
InChIInChI=1S/C14H16O/c1-11-6-8-12(9-7-11)10-14(15)13-4-2-3-5-13/h4,6-9H,2-3,5,10H2,1H3
InChIKeyPOCLJACCVISDGU-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.22
Rot. Bonds3

About 1-(cyclopenten-1-yl)-2-(4-methylphenyl)ethanone

1-(cyclopenten-1-yl)-2-(4-methylphenyl)ethanone (PubChem CID 62080493) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)-2-(4-methylphenyl)ethanone
PubChem CID62080493
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name1-(cyclopenten-1-yl)-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)C2=CCCC2)cc1
InChIInChI=1S/C14H16O/c1-11-6-8-12(9-7-11)10-14(15)13-4-2-3-5-13/h4,6-9H,2-3,5,10H2,1H3
InChIKeyPOCLJACCVISDGU-UHFFFAOYSA-N
XLogP3.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1E)-cycloocten-1-yl]-2-(4-methylphenyl)ethanone
CID 106651792
2-(2-chloro-4-methylphenyl)-1-(cyclopenten-1-yl)ethanone
CID 106867186
1-(cyclohexen-1-yl)-2-(2-methylphenyl)ethanone
CID 62077966
2-(1,3-benzodioxol-5-yl)-1-(cyclopenten-1-yl)ethanone
CID 168896138
1-(cyclohexen-1-yl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 103449970
1-(cyclohexen-1-yl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 103449933
2-(cyclohexen-1-yl)-1-(4-methylphenyl)ethanone
CID 116659602
1-(cyclohepten-1-yl)-3-(2-methylphenyl)propan-1-one
CID 106656000
1-(2-chloro-4-methylphenyl)-2-(4-methylphenyl)ethanone
CID 106861498
1-(cyclopenten-1-yl)-2-naphthalen-1-ylethanone
CID 103447987
2-[2-(aminomethyl)phenyl]-1-(cyclohexen-1-yl)ethanone
CID 106655576
1-(cyclohexen-1-yl)-3-(4-methoxyphenyl)propan-1-one
CID 62078293

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenten-1-yl)-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-(cyclopenten-1-yl)-2-(4-methylphenyl)ethanone (CID 62080493) is 1-(cyclopenten-1-yl)-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-(cyclopenten-1-yl)-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-(cyclopenten-1-yl)-2-(4-methylphenyl)ethanone is Cc1ccc(CC(=O)C2=CCCC2)cc1.
What is the InChIKey of 1-(cyclopenten-1-yl)-2-(4-methylphenyl)ethanone?
The InChIKey is POCLJACCVISDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O/c1-11-6-8-12(9-7-11)10-14(15)13-4-2-3-5-13/h4,6-9H,2-3,5,10H2,1H3.
What are the key properties of 1-(cyclopenten-1-yl)-2-(4-methylphenyl)ethanone?
1-(cyclopenten-1-yl)-2-(4-methylphenyl)ethanone has a molecular weight of 200.28 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenten-1-yl)-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 62080493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).