1-methoxy-4-[5-phenyl-3-[(E)-2-phenylethenyl]cyclopent-2-en-1-yl]benzene

C26H24O — CID 135006642

IUPAC1-methoxy-4-[5-phenyl-3-[(E)-2-phenylethenyl]cyclopent-2-en-1-yl]benzene
SMILESCOc1ccc(C2C=C(/C=C/c3ccccc3)CC2c2ccccc2)cc1
InChIInChI=1S/C26H24O/c1-27-24-16-14-23(15-17-24)26-19-21(13-12-20-8-4-2-5-9-20)18-25(26)22-10-6-3-7-11-22/h2-17,19,25-26H,18H2,1H3/b13-12+
InChIKeyWXSRHDQMEWQHJA-OUKQBFOZSA-N
MW352.48 g/mol
LogP6.61
Rot. Bonds5

About 1-methoxy-4-[5-phenyl-3-[(E)-2-phenylethenyl]cyclopent-2-en-1-yl]benzene

1-methoxy-4-[5-phenyl-3-[(E)-2-phenylethenyl]cyclopent-2-en-1-yl]benzene (PubChem CID 135006642) has the molecular formula C26H24O and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-methoxy-4-[5-phenyl-3-[(E)-2-phenylethenyl]cyclopent-2-en-1-yl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[5-phenyl-3-[(E)-2-phenylethenyl]cyclopent-2-en-1-yl]benzene
PubChem CID135006642
Molecular FormulaC26H24O
Molecular Weight352.48 g/mol
Exact Mass352.18
IUPAC Name1-methoxy-4-[5-phenyl-3-[(E)-2-phenylethenyl]cyclopent-2-en-1-yl]benzene
SMILESCOc1ccc(C2C=C(/C=C/c3ccccc3)CC2c2ccccc2)cc1
InChIInChI=1S/C26H24O/c1-27-24-16-14-23(15-17-24)26-19-21(13-12-20-8-4-2-5-9-20)18-25(26)22-10-6-3-7-11-22/h2-17,19,25-26H,18H2,1H3/b13-12+
InChIKeyWXSRHDQMEWQHJA-OUKQBFOZSA-N
XLogP6.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-diphenylcyclopent-2-en-1-yl)-4-methoxybenzene
CID 78120587
ethyl (1R,6R)-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate
CID 7690094
(4-methoxyphenyl)-(2-phenylethenyl)iodanium
CID 88650705
1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene
CID 4560156
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
1-methoxy-4-(3-phenylcyclobutyl)benzene
CID 125465439
1-[(1S,2R,3R,4S)-2,3-dimethyl-4-phenylcyclobutyl]-4-methoxybenzene
CID 134955785
(3S)-3-(4-methoxyphenyl)-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole
CID 92909932
(1S,2S,4E)-4-benzylidene-2-(4-methoxyphenyl)-1-phenyl-1,2,5,6,7,7a-hexahydroindene
CID 102258442
3-(4-methoxyphenyl)-4-nitro-5-phenyl-2-(3-phenylprop-2-enoyl)cyclohexan-1-one
CID 67249684
4-(4-methoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromene
CID 20703979
(2S,3R)-2-(4-methoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromene
CID 138963774

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[5-phenyl-3-[(E)-2-phenylethenyl]cyclopent-2-en-1-yl]benzene?
The IUPAC name of 1-methoxy-4-[5-phenyl-3-[(E)-2-phenylethenyl]cyclopent-2-en-1-yl]benzene (CID 135006642) is 1-methoxy-4-[5-phenyl-3-[(E)-2-phenylethenyl]cyclopent-2-en-1-yl]benzene.
What is the SMILES notation for 1-methoxy-4-[5-phenyl-3-[(E)-2-phenylethenyl]cyclopent-2-en-1-yl]benzene?
The canonical SMILES for 1-methoxy-4-[5-phenyl-3-[(E)-2-phenylethenyl]cyclopent-2-en-1-yl]benzene is COc1ccc(C2C=C(/C=C/c3ccccc3)CC2c2ccccc2)cc1.
What is the InChIKey of 1-methoxy-4-[5-phenyl-3-[(E)-2-phenylethenyl]cyclopent-2-en-1-yl]benzene?
The InChIKey is WXSRHDQMEWQHJA-OUKQBFOZSA-N. The full InChI is InChI=1S/C26H24O/c1-27-24-16-14-23(15-17-24)26-19-21(13-12-20-8-4-2-5-9-20)18-25(26)22-10-6-3-7-11-22/h2-17,19,25-26H,18H2,1H3/b13-12+.
What are the key properties of 1-methoxy-4-[5-phenyl-3-[(E)-2-phenylethenyl]cyclopent-2-en-1-yl]benzene?
1-methoxy-4-[5-phenyl-3-[(E)-2-phenylethenyl]cyclopent-2-en-1-yl]benzene has a molecular weight of 352.48 g/mol, XLogP of 6.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[5-phenyl-3-[(E)-2-phenylethenyl]cyclopent-2-en-1-yl]benzene is sourced from PubChem (CID 135006642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).