1-[(1R,2R)-2,4-diphenylcyclopent-3-en-1-yl]-4-methylbenzene

C24H22 — CID 71581394

IUPAC1-[(1R,2R)-2,4-diphenylcyclopent-3-en-1-yl]-4-methylbenzene
SMILESCc1ccc([C@@H]2CC(c3ccccc3)=C[C@H]2c2ccccc2)cc1
InChIInChI=1S/C24H22/c1-18-12-14-21(15-13-18)24-17-22(19-8-4-2-5-9-19)16-23(24)20-10-6-3-7-11-20/h2-16,23-24H,17H2,1H3/t23-,24-/m0/s1
InChIKeyKOBNJHWDCVVDPQ-ZEQRLZLVSA-N
MW310.44 g/mol
LogP6.35
Rot. Bonds3

About 1-[(1R,2R)-2,4-diphenylcyclopent-3-en-1-yl]-4-methylbenzene

1-[(1R,2R)-2,4-diphenylcyclopent-3-en-1-yl]-4-methylbenzene (PubChem CID 71581394) has the molecular formula C24H22 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-[(1R,2R)-2,4-diphenylcyclopent-3-en-1-yl]-4-methylbenzene.

Molecular Properties

Compound Name1-[(1R,2R)-2,4-diphenylcyclopent-3-en-1-yl]-4-methylbenzene
PubChem CID71581394
Molecular FormulaC24H22
Molecular Weight310.44 g/mol
Exact Mass310.17
IUPAC Name1-[(1R,2R)-2,4-diphenylcyclopent-3-en-1-yl]-4-methylbenzene
SMILESCc1ccc([C@@H]2CC(c3ccccc3)=C[C@H]2c2ccccc2)cc1
InChIInChI=1S/C24H22/c1-18-12-14-21(15-13-18)24-17-22(19-8-4-2-5-9-19)16-23(24)20-10-6-3-7-11-20/h2-16,23-24H,17H2,1H3/t23-,24-/m0/s1
InChIKeyKOBNJHWDCVVDPQ-ZEQRLZLVSA-N
XLogP6.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2,4-diphenylcyclopent-3-en-1-yl]-4-methylbenzene?
The IUPAC name of 1-[(1R,2R)-2,4-diphenylcyclopent-3-en-1-yl]-4-methylbenzene (CID 71581394) is 1-[(1R,2R)-2,4-diphenylcyclopent-3-en-1-yl]-4-methylbenzene.
What is the SMILES notation for 1-[(1R,2R)-2,4-diphenylcyclopent-3-en-1-yl]-4-methylbenzene?
The canonical SMILES for 1-[(1R,2R)-2,4-diphenylcyclopent-3-en-1-yl]-4-methylbenzene is Cc1ccc([C@@H]2CC(c3ccccc3)=C[C@H]2c2ccccc2)cc1.
What is the InChIKey of 1-[(1R,2R)-2,4-diphenylcyclopent-3-en-1-yl]-4-methylbenzene?
The InChIKey is KOBNJHWDCVVDPQ-ZEQRLZLVSA-N. The full InChI is InChI=1S/C24H22/c1-18-12-14-21(15-13-18)24-17-22(19-8-4-2-5-9-19)16-23(24)20-10-6-3-7-11-20/h2-16,23-24H,17H2,1H3/t23-,24-/m0/s1.
What are the key properties of 1-[(1R,2R)-2,4-diphenylcyclopent-3-en-1-yl]-4-methylbenzene?
1-[(1R,2R)-2,4-diphenylcyclopent-3-en-1-yl]-4-methylbenzene has a molecular weight of 310.44 g/mol, XLogP of 6.35, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2,4-diphenylcyclopent-3-en-1-yl]-4-methylbenzene is sourced from PubChem (CID 71581394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).