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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Related Compounds

1-[(3R,4R)-3,4-diphenylcyclopenten-1-yl]-4-methylbenzene
CID 71581361
1-(3,5-diphenylcyclopent-2-en-1-yl)-4-methoxybenzene
CID 78120587
2-(4-methylphenyl)-4-phenyl-3a,4,5,9b-tetrahydro-1H-cyclopenta[a]naphthalene
CID 168830969
7-methyl-3-[(5R)-5-(2-methylphenyl)-3-(4-methylphenyl)cyclopent-2-en-1-yl]-1-phenylnaphthalene
CID 168830911
2-(4-methylphenyl)-5-phenylthiolane
CID 58161404
4-(4-methylphenyl)-5-phenyloxolan-2-one
CID 144706058
2-(4-methylphenyl)-4'-phenylspiro[1,3a,5,9b-tetrahydrocyclopenta[a]naphthalene-4,1'-cyclohexane]
CID 168830974
2-(4-methylphenyl)-6-phenylthian-4-one
CID 3691467
1-methyl-4-[(1R,2R)-2-(4-methylphenyl)cyclobutyl]benzene
CID 15556691
1-[(5R)-5-(4-ethylphenyl)-3-(4-methylphenyl)cyclopent-2-en-1-yl]propan-1-one
CID 168831038
ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene
CID 142405863
ethane;bis(1-methyl-4-phenylbenzene);bis(1,4-xylene)
CID 159318661

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).