[3-(4-chlorophenyl)-5-(2-methoxyphenyl)cyclopent-2-en-1-yl]-(2-methylphenyl)methanone

C26H23ClO2 — CID 58025957

IUPAC[3-(4-chlorophenyl)-5-(2-methoxyphenyl)cyclopent-2-en-1-yl]-(2-methylphenyl)methanone
SMILESCOc1ccccc1C1CC(c2ccc(Cl)cc2)=CC1C(=O)c1ccccc1C
InChIInChI=1S/C26H23ClO2/c1-17-7-3-4-8-21(17)26(28)24-16-19(18-11-13-20(27)14-12-18)15-23(24)22-9-5-6-10-25(22)29-2/h3-14,16,23-24H,15H2,1-2H3
InChIKeyGKCNUTANNWHMSB-UHFFFAOYSA-N
MW402.92 g/mol
LogP6.73
Rot. Bonds5

About [3-(4-chlorophenyl)-5-(2-methoxyphenyl)cyclopent-2-en-1-yl]-(2-methylphenyl)methanone

[3-(4-chlorophenyl)-5-(2-methoxyphenyl)cyclopent-2-en-1-yl]-(2-methylphenyl)methanone (PubChem CID 58025957) has the molecular formula C26H23ClO2 and a molecular weight of 402.92 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-5-(2-methoxyphenyl)cyclopent-2-en-1-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-5-(2-methoxyphenyl)cyclopent-2-en-1-yl]-(2-methylphenyl)methanone
PubChem CID58025957
Molecular FormulaC26H23ClO2
Molecular Weight402.92 g/mol
Exact Mass402.14
IUPAC Name[3-(4-chlorophenyl)-5-(2-methoxyphenyl)cyclopent-2-en-1-yl]-(2-methylphenyl)methanone
SMILESCOc1ccccc1C1CC(c2ccc(Cl)cc2)=CC1C(=O)c1ccccc1C
InChIInChI=1S/C26H23ClO2/c1-17-7-3-4-8-21(17)26(28)24-16-19(18-11-13-20(27)14-12-18)15-23(24)22-9-5-6-10-25(22)29-2/h3-14,16,23-24H,15H2,1-2H3
InChIKeyGKCNUTANNWHMSB-UHFFFAOYSA-N
XLogP6.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.92
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-5-(2-methoxyphenyl)cyclopent-2-en-1-yl]-(2-methylphenyl)methanone?
The IUPAC name of [3-(4-chlorophenyl)-5-(2-methoxyphenyl)cyclopent-2-en-1-yl]-(2-methylphenyl)methanone (CID 58025957) is [3-(4-chlorophenyl)-5-(2-methoxyphenyl)cyclopent-2-en-1-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [3-(4-chlorophenyl)-5-(2-methoxyphenyl)cyclopent-2-en-1-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [3-(4-chlorophenyl)-5-(2-methoxyphenyl)cyclopent-2-en-1-yl]-(2-methylphenyl)methanone is COc1ccccc1C1CC(c2ccc(Cl)cc2)=CC1C(=O)c1ccccc1C.
What is the InChIKey of [3-(4-chlorophenyl)-5-(2-methoxyphenyl)cyclopent-2-en-1-yl]-(2-methylphenyl)methanone?
The InChIKey is GKCNUTANNWHMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClO2/c1-17-7-3-4-8-21(17)26(28)24-16-19(18-11-13-20(27)14-12-18)15-23(24)22-9-5-6-10-25(22)29-2/h3-14,16,23-24H,15H2,1-2H3.
What are the key properties of [3-(4-chlorophenyl)-5-(2-methoxyphenyl)cyclopent-2-en-1-yl]-(2-methylphenyl)methanone?
[3-(4-chlorophenyl)-5-(2-methoxyphenyl)cyclopent-2-en-1-yl]-(2-methylphenyl)methanone has a molecular weight of 402.92 g/mol, XLogP of 6.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-5-(2-methoxyphenyl)cyclopent-2-en-1-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 58025957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).