2,3-bis(4-methylphenyl)cyclopent-2-en-1-one

C19H18O — CID 10084074

IUPAC2,3-bis(4-methylphenyl)cyclopent-2-en-1-one
SMILESCc1ccc(C2=C(c3ccc(C)cc3)C(=O)CC2)cc1
InChIInChI=1S/C19H18O/c1-13-3-7-15(8-4-13)17-11-12-18(20)19(17)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3
InChIKeyRJAKWFWTTWJYTB-UHFFFAOYSA-N
MW262.35 g/mol
LogP4.58
Rot. Bonds2

About 2,3-bis(4-methylphenyl)cyclopent-2-en-1-one

2,3-bis(4-methylphenyl)cyclopent-2-en-1-one (PubChem CID 10084074) has the molecular formula C19H18O and a molecular weight of 262.35 g/mol. Its IUPAC name is 2,3-bis(4-methylphenyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name2,3-bis(4-methylphenyl)cyclopent-2-en-1-one
PubChem CID10084074
Molecular FormulaC19H18O
Molecular Weight262.35 g/mol
Exact Mass262.14
IUPAC Name2,3-bis(4-methylphenyl)cyclopent-2-en-1-one
SMILESCc1ccc(C2=C(c3ccc(C)cc3)C(=O)CC2)cc1
InChIInChI=1S/C19H18O/c1-13-3-7-15(8-4-13)17-11-12-18(20)19(17)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3
InChIKeyRJAKWFWTTWJYTB-UHFFFAOYSA-N
XLogP4.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

3-(4-methylphenyl)-2-(trifluoromethyl)cyclopent-2-en-1-one
CID 162535578
5-(4-methylphenyl)-3,6,7,8-tetrahydro-2H-azulen-1-one
CID 10933561
3-(4-methylphenyl)-2-(propan-2-ylamino)cyclohex-2-en-1-one
CID 12604692
3-(2-methoxy-4-methylphenyl)-2-methylcyclopent-2-en-1-one
CID 169225392
2-(ethylamino)-3-(4-methylphenyl)cyclohex-2-en-1-one
CID 12604684
1-(4-methylphenyl)-3,4-diphenyl-2H-pyrrol-5-one
CID 71190811
3-(4-methylphenyl)-4-[4-(trifluoromethyl)phenyl]-2H-furan-5-one
CID 162617833
7-methyl-4-(4-nitrophenyl)-3-phenyl-1,2-dihydronaphthalene
CID 129122010
2-(4-methylphenyl)-3-[3-(4-methylphenyl)-1,4-dioxonaphthalen-2-yl]naphthalene-1,4-dione
CID 141466102
1-bromo-4-[2-(4-methylphenyl)cyclopenten-1-yl]benzene
CID 145072722
1-(2-chlorocyclohexen-1-yl)-4-methylbenzene
CID 162400870
3,4-bis(4-methylphenyl)cyclobut-3-ene-1,2-dione
CID 15312557

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-methylphenyl)cyclopent-2-en-1-one?
The IUPAC name of 2,3-bis(4-methylphenyl)cyclopent-2-en-1-one (CID 10084074) is 2,3-bis(4-methylphenyl)cyclopent-2-en-1-one.
What is the SMILES notation for 2,3-bis(4-methylphenyl)cyclopent-2-en-1-one?
The canonical SMILES for 2,3-bis(4-methylphenyl)cyclopent-2-en-1-one is Cc1ccc(C2=C(c3ccc(C)cc3)C(=O)CC2)cc1.
What is the InChIKey of 2,3-bis(4-methylphenyl)cyclopent-2-en-1-one?
The InChIKey is RJAKWFWTTWJYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O/c1-13-3-7-15(8-4-13)17-11-12-18(20)19(17)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3.
What are the key properties of 2,3-bis(4-methylphenyl)cyclopent-2-en-1-one?
2,3-bis(4-methylphenyl)cyclopent-2-en-1-one has a molecular weight of 262.35 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-methylphenyl)cyclopent-2-en-1-one is sourced from PubChem (CID 10084074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).