cyclopenten-1-yl-(3-methylphenyl)methanone

C13H14O — CID 62080308

IUPACcyclopenten-1-yl-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)C2=CCCC2)c1
InChIInChI=1S/C13H14O/c1-10-5-4-8-12(9-10)13(14)11-6-2-3-7-11/h4-6,8-9H,2-3,7H2,1H3
InChIKeyPGSZWMVPKHYGKV-UHFFFAOYSA-N
MW186.25 g/mol
LogP3.29
Rot. Bonds2

About cyclopenten-1-yl-(3-methylphenyl)methanone

cyclopenten-1-yl-(3-methylphenyl)methanone (PubChem CID 62080308) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is cyclopenten-1-yl-(3-methylphenyl)methanone.

Molecular Properties

Compound Namecyclopenten-1-yl-(3-methylphenyl)methanone
PubChem CID62080308
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Namecyclopenten-1-yl-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)C2=CCCC2)c1
InChIInChI=1S/C13H14O/c1-10-5-4-8-12(9-10)13(14)11-6-2-3-7-11/h4-6,8-9H,2-3,7H2,1H3
InChIKeyPGSZWMVPKHYGKV-UHFFFAOYSA-N
XLogP3.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

bis(3-methylphenyl)methanone
CID 17848
(3-chloro-2-methylphenyl)-(cyclopenten-1-yl)methanone
CID 107096169
2-[(1S)-2-(3-methylbenzoyl)cyclohex-2-en-1-yl]-1-(3-methylphenyl)ethanone
CID 122385088
(1E)-N'-tert-butyl-N'-(3-methylbenzoyl)cyclooctene-1-carbohydrazide
CID 88511224
(1-aminocyclobutyl)-(3-methylphenyl)methanone
CID 116598453
(3-methylphenyl)-naphthalen-2-ylmethanone
CID 15552635
(4-hydroxyphenyl)-(3-methylphenyl)methanone
CID 22132621
(1-hydroxycyclohexyl)-(3-methylphenyl)methanone
CID 103449690
cyclohepten-1-yl-(5-methylfuran-3-yl)methanone
CID 114819598
(3-methylbenzoyl)azanium
CID 153183849
3-methylbenzoic acid
CID 7418
(6-bromonaphthalen-2-yl)-(cyclohexen-1-yl)methanone
CID 115353718

Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl-(3-methylphenyl)methanone?
The IUPAC name of cyclopenten-1-yl-(3-methylphenyl)methanone (CID 62080308) is cyclopenten-1-yl-(3-methylphenyl)methanone.
What is the SMILES notation for cyclopenten-1-yl-(3-methylphenyl)methanone?
The canonical SMILES for cyclopenten-1-yl-(3-methylphenyl)methanone is Cc1cccc(C(=O)C2=CCCC2)c1.
What is the InChIKey of cyclopenten-1-yl-(3-methylphenyl)methanone?
The InChIKey is PGSZWMVPKHYGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O/c1-10-5-4-8-12(9-10)13(14)11-6-2-3-7-11/h4-6,8-9H,2-3,7H2,1H3.
What are the key properties of cyclopenten-1-yl-(3-methylphenyl)methanone?
cyclopenten-1-yl-(3-methylphenyl)methanone has a molecular weight of 186.25 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yl-(3-methylphenyl)methanone is sourced from PubChem (CID 62080308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).