1-[2,3-bis(4-methoxyphenyl)-1-phenylcyclopent-3-en-1-yl]-4-chlorobenzene

C31H27ClO2 — CID 44512707

IUPAC1-[2,3-bis(4-methoxyphenyl)-1-phenylcyclopent-3-en-1-yl]-4-chlorobenzene
SMILESCOc1ccc(C2=CCC(c3ccccc3)(c3ccc(Cl)cc3)C2c2ccc(OC)cc2)cc1
InChIInChI=1S/C31H27ClO2/c1-33-27-16-8-22(9-17-27)29-20-21-31(24-6-4-3-5-7-24,25-12-14-26(32)15-13-25)30(29)23-10-18-28(34-2)19-11-23/h3-20,30H,21H2,1-2H3
InChIKeyQFUJQPIYAPJUJG-UHFFFAOYSA-N
MW467.01 g/mol
LogP7.91
Rot. Bonds6

About 1-[2,3-bis(4-methoxyphenyl)-1-phenylcyclopent-3-en-1-yl]-4-chlorobenzene

1-[2,3-bis(4-methoxyphenyl)-1-phenylcyclopent-3-en-1-yl]-4-chlorobenzene (PubChem CID 44512707) has the molecular formula C31H27ClO2 and a molecular weight of 467.01 g/mol. Its IUPAC name is 1-[2,3-bis(4-methoxyphenyl)-1-phenylcyclopent-3-en-1-yl]-4-chlorobenzene.

Molecular Properties

Compound Name1-[2,3-bis(4-methoxyphenyl)-1-phenylcyclopent-3-en-1-yl]-4-chlorobenzene
PubChem CID44512707
Molecular FormulaC31H27ClO2
Molecular Weight467.01 g/mol
Exact Mass466.17
IUPAC Name1-[2,3-bis(4-methoxyphenyl)-1-phenylcyclopent-3-en-1-yl]-4-chlorobenzene
SMILESCOc1ccc(C2=CCC(c3ccccc3)(c3ccc(Cl)cc3)C2c2ccc(OC)cc2)cc1
InChIInChI=1S/C31H27ClO2/c1-33-27-16-8-22(9-17-27)29-20-21-31(24-6-4-3-5-7-24,25-12-14-26(32)15-13-25)30(29)23-10-18-28(34-2)19-11-23/h3-20,30H,21H2,1-2H3
InChIKeyQFUJQPIYAPJUJG-UHFFFAOYSA-N
XLogP7.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.01
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2,3-bis(4-methoxyphenyl)-1-phenylcyclopent-3-en-1-yl]-4-chlorobenzene?
The IUPAC name of 1-[2,3-bis(4-methoxyphenyl)-1-phenylcyclopent-3-en-1-yl]-4-chlorobenzene (CID 44512707) is 1-[2,3-bis(4-methoxyphenyl)-1-phenylcyclopent-3-en-1-yl]-4-chlorobenzene.
What is the SMILES notation for 1-[2,3-bis(4-methoxyphenyl)-1-phenylcyclopent-3-en-1-yl]-4-chlorobenzene?
The canonical SMILES for 1-[2,3-bis(4-methoxyphenyl)-1-phenylcyclopent-3-en-1-yl]-4-chlorobenzene is COc1ccc(C2=CCC(c3ccccc3)(c3ccc(Cl)cc3)C2c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[2,3-bis(4-methoxyphenyl)-1-phenylcyclopent-3-en-1-yl]-4-chlorobenzene?
The InChIKey is QFUJQPIYAPJUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27ClO2/c1-33-27-16-8-22(9-17-27)29-20-21-31(24-6-4-3-5-7-24,25-12-14-26(32)15-13-25)30(29)23-10-18-28(34-2)19-11-23/h3-20,30H,21H2,1-2H3.
What are the key properties of 1-[2,3-bis(4-methoxyphenyl)-1-phenylcyclopent-3-en-1-yl]-4-chlorobenzene?
1-[2,3-bis(4-methoxyphenyl)-1-phenylcyclopent-3-en-1-yl]-4-chlorobenzene has a molecular weight of 467.01 g/mol, XLogP of 7.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-bis(4-methoxyphenyl)-1-phenylcyclopent-3-en-1-yl]-4-chlorobenzene is sourced from PubChem (CID 44512707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).