(5-benzoyl-5-methyl-2-phenylcyclopenten-1-yl)-(4-chlorophenyl)methanone

C26H21ClO2 — CID 56601412

IUPAC(5-benzoyl-5-methyl-2-phenylcyclopenten-1-yl)-(4-chlorophenyl)methanone
SMILESCC1(C(=O)c2ccccc2)CCC(c2ccccc2)=C1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C26H21ClO2/c1-26(25(29)20-10-6-3-7-11-20)17-16-22(18-8-4-2-5-9-18)23(26)24(28)19-12-14-21(27)15-13-19/h2-15H,16-17H2,1H3
InChIKeyBQLPFLLDPPRDAY-UHFFFAOYSA-N
MW400.91 g/mol
LogP6.66
Rot. Bonds5

About (5-benzoyl-5-methyl-2-phenylcyclopenten-1-yl)-(4-chlorophenyl)methanone

(5-benzoyl-5-methyl-2-phenylcyclopenten-1-yl)-(4-chlorophenyl)methanone (PubChem CID 56601412) has the molecular formula C26H21ClO2 and a molecular weight of 400.91 g/mol. Its IUPAC name is (5-benzoyl-5-methyl-2-phenylcyclopenten-1-yl)-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name(5-benzoyl-5-methyl-2-phenylcyclopenten-1-yl)-(4-chlorophenyl)methanone
PubChem CID56601412
Molecular FormulaC26H21ClO2
Molecular Weight400.91 g/mol
Exact Mass400.12
IUPAC Name(5-benzoyl-5-methyl-2-phenylcyclopenten-1-yl)-(4-chlorophenyl)methanone
SMILESCC1(C(=O)c2ccccc2)CCC(c2ccccc2)=C1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C26H21ClO2/c1-26(25(29)20-10-6-3-7-11-20)17-16-22(18-8-4-2-5-9-18)23(26)24(28)19-12-14-21(27)15-13-19/h2-15H,16-17H2,1H3
InChIKeyBQLPFLLDPPRDAY-UHFFFAOYSA-N
XLogP6.66
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.91
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-benzoyl-5-methyl-2-phenylcyclopenten-1-yl)-(4-chlorophenyl)methanone?
The IUPAC name of (5-benzoyl-5-methyl-2-phenylcyclopenten-1-yl)-(4-chlorophenyl)methanone (CID 56601412) is (5-benzoyl-5-methyl-2-phenylcyclopenten-1-yl)-(4-chlorophenyl)methanone.
What is the SMILES notation for (5-benzoyl-5-methyl-2-phenylcyclopenten-1-yl)-(4-chlorophenyl)methanone?
The canonical SMILES for (5-benzoyl-5-methyl-2-phenylcyclopenten-1-yl)-(4-chlorophenyl)methanone is CC1(C(=O)c2ccccc2)CCC(c2ccccc2)=C1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of (5-benzoyl-5-methyl-2-phenylcyclopenten-1-yl)-(4-chlorophenyl)methanone?
The InChIKey is BQLPFLLDPPRDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClO2/c1-26(25(29)20-10-6-3-7-11-20)17-16-22(18-8-4-2-5-9-18)23(26)24(28)19-12-14-21(27)15-13-19/h2-15H,16-17H2,1H3.
What are the key properties of (5-benzoyl-5-methyl-2-phenylcyclopenten-1-yl)-(4-chlorophenyl)methanone?
(5-benzoyl-5-methyl-2-phenylcyclopenten-1-yl)-(4-chlorophenyl)methanone has a molecular weight of 400.91 g/mol, XLogP of 6.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-benzoyl-5-methyl-2-phenylcyclopenten-1-yl)-(4-chlorophenyl)methanone is sourced from PubChem (CID 56601412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).