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

C26H23FO2 — CID 58025782

IUPAC(3-fluorophenyl)-[5-(2-methoxyphenyl)-3-(4-methylphenyl)cyclopent-2-en-1-yl]methanone
SMILESCOc1ccccc1C1CC(c2ccc(C)cc2)=CC1C(=O)c1cccc(F)c1
InChIInChI=1S/C26H23FO2/c1-17-10-12-18(13-11-17)20-15-23(22-8-3-4-9-25(22)29-2)24(16-20)26(28)19-6-5-7-21(27)14-19/h3-14,16,23-24H,15H2,1-2H3
InChIKeyCJLVIZUXNUFDMA-UHFFFAOYSA-N
MW386.47 g/mol
LogP6.21
Rot. Bonds5

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

(3-fluorophenyl)-[5-(2-methoxyphenyl)-3-(4-methylphenyl)cyclopent-2-en-1-yl]methanone (PubChem CID 58025782) has the molecular formula C26H23FO2 and a molecular weight of 386.47 g/mol. Its IUPAC name is (3-fluorophenyl)-[5-(2-methoxyphenyl)-3-(4-methylphenyl)cyclopent-2-en-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[5-(2-methoxyphenyl)-3-(4-methylphenyl)cyclopent-2-en-1-yl]methanone
PubChem CID58025782
Molecular FormulaC26H23FO2
Molecular Weight386.47 g/mol
Exact Mass386.17
IUPAC Name(3-fluorophenyl)-[5-(2-methoxyphenyl)-3-(4-methylphenyl)cyclopent-2-en-1-yl]methanone
SMILESCOc1ccccc1C1CC(c2ccc(C)cc2)=CC1C(=O)c1cccc(F)c1
InChIInChI=1S/C26H23FO2/c1-17-10-12-18(13-11-17)20-15-23(22-8-3-4-9-25(22)29-2)24(16-20)26(28)19-6-5-7-21(27)14-19/h3-14,16,23-24H,15H2,1-2H3
InChIKeyCJLVIZUXNUFDMA-UHFFFAOYSA-N
XLogP6.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.47
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[5-(2-methoxyphenyl)-3-(4-methylphenyl)cyclopent-2-en-1-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[5-(2-methoxyphenyl)-3-(4-methylphenyl)cyclopent-2-en-1-yl]methanone (CID 58025782) is (3-fluorophenyl)-[5-(2-methoxyphenyl)-3-(4-methylphenyl)cyclopent-2-en-1-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[5-(2-methoxyphenyl)-3-(4-methylphenyl)cyclopent-2-en-1-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[5-(2-methoxyphenyl)-3-(4-methylphenyl)cyclopent-2-en-1-yl]methanone is COc1ccccc1C1CC(c2ccc(C)cc2)=CC1C(=O)c1cccc(F)c1.
What is the InChIKey of (3-fluorophenyl)-[5-(2-methoxyphenyl)-3-(4-methylphenyl)cyclopent-2-en-1-yl]methanone?
The InChIKey is CJLVIZUXNUFDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FO2/c1-17-10-12-18(13-11-17)20-15-23(22-8-3-4-9-25(22)29-2)24(16-20)26(28)19-6-5-7-21(27)14-19/h3-14,16,23-24H,15H2,1-2H3.
What are the key properties of (3-fluorophenyl)-[5-(2-methoxyphenyl)-3-(4-methylphenyl)cyclopent-2-en-1-yl]methanone?
(3-fluorophenyl)-[5-(2-methoxyphenyl)-3-(4-methylphenyl)cyclopent-2-en-1-yl]methanone has a molecular weight of 386.47 g/mol, XLogP of 6.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[5-(2-methoxyphenyl)-3-(4-methylphenyl)cyclopent-2-en-1-yl]methanone is sourced from PubChem (CID 58025782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).