1-[(3R,4R)-3,4-diphenylcyclopenten-1-yl]-4-methylbenzene

C24H22 — CID 71581361

IUPAC1-[(3R,4R)-3,4-diphenylcyclopenten-1-yl]-4-methylbenzene
SMILESCc1ccc(C2=C[C@@H](c3ccccc3)[C@H](c3ccccc3)C2)cc1
InChIInChI=1S/C24H22/c1-18-12-14-19(15-13-18)22-16-23(20-8-4-2-5-9-20)24(17-22)21-10-6-3-7-11-21/h2-16,23-24H,17H2,1H3/t23-,24-/m0/s1
InChIKeyBXYUSENDXVMBGD-ZEQRLZLVSA-N
MW310.44 g/mol
LogP6.35
Rot. Bonds3

About 1-[(3R,4R)-3,4-diphenylcyclopenten-1-yl]-4-methylbenzene

1-[(3R,4R)-3,4-diphenylcyclopenten-1-yl]-4-methylbenzene (PubChem CID 71581361) has the molecular formula C24H22 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-[(3R,4R)-3,4-diphenylcyclopenten-1-yl]-4-methylbenzene.

Molecular Properties

Compound Name1-[(3R,4R)-3,4-diphenylcyclopenten-1-yl]-4-methylbenzene
PubChem CID71581361
Molecular FormulaC24H22
Molecular Weight310.44 g/mol
Exact Mass310.17
IUPAC Name1-[(3R,4R)-3,4-diphenylcyclopenten-1-yl]-4-methylbenzene
SMILESCc1ccc(C2=C[C@@H](c3ccccc3)[C@H](c3ccccc3)C2)cc1
InChIInChI=1S/C24H22/c1-18-12-14-19(15-13-18)22-16-23(20-8-4-2-5-9-20)24(17-22)21-10-6-3-7-11-21/h2-16,23-24H,17H2,1H3/t23-,24-/m0/s1
InChIKeyBXYUSENDXVMBGD-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-[(3R,4R)-3,4-diphenylcyclopenten-1-yl]-4-methylbenzene?
The IUPAC name of 1-[(3R,4R)-3,4-diphenylcyclopenten-1-yl]-4-methylbenzene (CID 71581361) is 1-[(3R,4R)-3,4-diphenylcyclopenten-1-yl]-4-methylbenzene.
What is the SMILES notation for 1-[(3R,4R)-3,4-diphenylcyclopenten-1-yl]-4-methylbenzene?
The canonical SMILES for 1-[(3R,4R)-3,4-diphenylcyclopenten-1-yl]-4-methylbenzene is Cc1ccc(C2=C[C@@H](c3ccccc3)[C@H](c3ccccc3)C2)cc1.
What is the InChIKey of 1-[(3R,4R)-3,4-diphenylcyclopenten-1-yl]-4-methylbenzene?
The InChIKey is BXYUSENDXVMBGD-ZEQRLZLVSA-N. The full InChI is InChI=1S/C24H22/c1-18-12-14-19(15-13-18)22-16-23(20-8-4-2-5-9-20)24(17-22)21-10-6-3-7-11-21/h2-16,23-24H,17H2,1H3/t23-,24-/m0/s1.
What are the key properties of 1-[(3R,4R)-3,4-diphenylcyclopenten-1-yl]-4-methylbenzene?
1-[(3R,4R)-3,4-diphenylcyclopenten-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-[(3R,4R)-3,4-diphenylcyclopenten-1-yl]-4-methylbenzene is sourced from PubChem (CID 71581361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).