1-(3,5-diphenylcyclopent-2-en-1-yl)-4-methoxybenzene

C24H22O — CID 78120587

IUPAC1-(3,5-diphenylcyclopent-2-en-1-yl)-4-methoxybenzene
SMILESCOc1ccc(C2C=C(c3ccccc3)CC2c2ccccc2)cc1
InChIInChI=1S/C24H22O/c1-25-22-14-12-20(13-15-22)24-17-21(18-8-4-2-5-9-18)16-23(24)19-10-6-3-7-11-19/h2-15,17,23-24H,16H2,1H3
InChIKeyFYIJQBDBOGBQPH-UHFFFAOYSA-N
MW326.44 g/mol
LogP6.05
Rot. Bonds4

About 1-(3,5-diphenylcyclopent-2-en-1-yl)-4-methoxybenzene

1-(3,5-diphenylcyclopent-2-en-1-yl)-4-methoxybenzene (PubChem CID 78120587) has the molecular formula C24H22O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-(3,5-diphenylcyclopent-2-en-1-yl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(3,5-diphenylcyclopent-2-en-1-yl)-4-methoxybenzene
PubChem CID78120587
Molecular FormulaC24H22O
Molecular Weight326.44 g/mol
Exact Mass326.17
IUPAC Name1-(3,5-diphenylcyclopent-2-en-1-yl)-4-methoxybenzene
SMILESCOc1ccc(C2C=C(c3ccccc3)CC2c2ccccc2)cc1
InChIInChI=1S/C24H22O/c1-25-22-14-12-20(13-15-22)24-17-21(18-8-4-2-5-9-18)16-23(24)19-10-6-3-7-11-19/h2-15,17,23-24H,16H2,1H3
InChIKeyFYIJQBDBOGBQPH-UHFFFAOYSA-N
XLogP6.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1R,2R)-2,4-diphenylcyclopent-3-en-1-yl]-4-methylbenzene
CID 71581394
1-[(3R,4R)-3,4-diphenylcyclopenten-1-yl]-4-methylbenzene
CID 71581361
1-methoxy-4-[5-phenyl-3-[(E)-2-phenylethenyl]cyclopent-2-en-1-yl]benzene
CID 135006642
1-methoxy-4-(3-phenylcyclobutyl)benzene
CID 125465439
ethyl (1R,6S)-6-(4-methoxyphenyl)-2-oxo-4-phenylcyclohex-3-ene-1-carboxylate;ethyl (1S,6R)-6-(4-methoxyphenyl)-2-oxo-4-phenylcyclohex-3-ene-1-carboxylate
CID 139084600
(2S,3R)-2-diphenylphosphoryl-3,5-bis(4-methoxyphenyl)-3,4-dihydro-2H-telluropyran
CID 135063103
(2S,3R)-2-(4-methoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromene
CID 138963774
(4-methoxyphenyl)-(4-phenyliodoniophenyl)iodanium
CID 10259813
6-anilino-2-(4-methoxyphenyl)-5-phenyl-2,3-dihydrothiopyran-4-one
CID 2768640
5-[(4-methoxyphenyl)methyl]-3-phenylcyclohex-3-en-1-amine
CID 175741728
1-[(1S,2R,3R,4S)-2,3-dimethyl-4-phenylcyclobutyl]-4-methoxybenzene
CID 134955785
(4-methoxyphenyl)-phenyliodanium bromide
CID 11058256

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-diphenylcyclopent-2-en-1-yl)-4-methoxybenzene?
The IUPAC name of 1-(3,5-diphenylcyclopent-2-en-1-yl)-4-methoxybenzene (CID 78120587) is 1-(3,5-diphenylcyclopent-2-en-1-yl)-4-methoxybenzene.
What is the SMILES notation for 1-(3,5-diphenylcyclopent-2-en-1-yl)-4-methoxybenzene?
The canonical SMILES for 1-(3,5-diphenylcyclopent-2-en-1-yl)-4-methoxybenzene is COc1ccc(C2C=C(c3ccccc3)CC2c2ccccc2)cc1.
What is the InChIKey of 1-(3,5-diphenylcyclopent-2-en-1-yl)-4-methoxybenzene?
The InChIKey is FYIJQBDBOGBQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O/c1-25-22-14-12-20(13-15-22)24-17-21(18-8-4-2-5-9-18)16-23(24)19-10-6-3-7-11-19/h2-15,17,23-24H,16H2,1H3.
What are the key properties of 1-(3,5-diphenylcyclopent-2-en-1-yl)-4-methoxybenzene?
1-(3,5-diphenylcyclopent-2-en-1-yl)-4-methoxybenzene has a molecular weight of 326.44 g/mol, XLogP of 6.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-diphenylcyclopent-2-en-1-yl)-4-methoxybenzene is sourced from PubChem (CID 78120587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).