1,4-bis[2-cyclohexyl-2-(4-methoxyphenyl)ethenyl]-2,5-dimethylbenzene

C38H46O2 — CID 54529441

IUPAC1,4-bis[2-cyclohexyl-2-(4-methoxyphenyl)ethenyl]-2,5-dimethylbenzene
SMILESCOc1ccc(C(=Cc2cc(C)c(C=C(c3ccc(OC)cc3)C3CCCCC3)cc2C)C2CCCCC2)cc1
InChIInChI=1S/C38H46O2/c1-27-23-34(26-38(30-13-9-6-10-14-30)32-17-21-36(40-4)22-18-32)28(2)24-33(27)25-37(29-11-7-5-8-12-29)31-15-19-35(39-3)20-16-31/h15-26,29-30H,5-14H2,1-4H3
InChIKeyYVLRLUUPWYLLIZ-UHFFFAOYSA-N
MW534.78 g/mol
LogP10.56
Rot. Bonds8

About 1,4-bis[2-cyclohexyl-2-(4-methoxyphenyl)ethenyl]-2,5-dimethylbenzene

1,4-bis[2-cyclohexyl-2-(4-methoxyphenyl)ethenyl]-2,5-dimethylbenzene (PubChem CID 54529441) has the molecular formula C38H46O2 and a molecular weight of 534.78 g/mol. Its IUPAC name is 1,4-bis[2-cyclohexyl-2-(4-methoxyphenyl)ethenyl]-2,5-dimethylbenzene.

Molecular Properties

Compound Name1,4-bis[2-cyclohexyl-2-(4-methoxyphenyl)ethenyl]-2,5-dimethylbenzene
PubChem CID54529441
Molecular FormulaC38H46O2
Molecular Weight534.78 g/mol
Exact Mass534.35
IUPAC Name1,4-bis[2-cyclohexyl-2-(4-methoxyphenyl)ethenyl]-2,5-dimethylbenzene
SMILESCOc1ccc(C(=Cc2cc(C)c(C=C(c3ccc(OC)cc3)C3CCCCC3)cc2C)C2CCCCC2)cc1
InChIInChI=1S/C38H46O2/c1-27-23-34(26-38(30-13-9-6-10-14-30)32-17-21-36(40-4)22-18-32)28(2)24-33(27)25-37(29-11-7-5-8-12-29)31-15-19-35(39-3)20-16-31/h15-26,29-30H,5-14H2,1-4H3
InChIKeyYVLRLUUPWYLLIZ-UHFFFAOYSA-N
XLogP10.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.78
LogP ≤ 510.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-(1-cyclohexylethenyl)-4-methoxybenzene
CID 122206167
1-[(1E)-1-cyclopropylbuta-1,3-dienyl]-4-methoxybenzene
CID 102264741
(E)-3-cyclohexyl-3-(3-methoxyphenyl)prop-2-enoic acid
CID 82090151
(E)-2-(4-methoxybenzoyl)-3-(2,4,5-trimethylphenyl)prop-2-enenitrile
CID 8828969
cycloheptyl-(3-methoxyphenyl)methanone
CID 65399617
4-[(E)-2-cyclohexyl-1-(4-methoxyphenyl)ethenyl]-2-methylbenzonitrile
CID 134953964
sodium [4-(2-cyclohexyl-2-phenylethenyl)phenyl] (2-methylphenyl) phosphate
CID 74087790
N-[(Z)-1-(4-methoxyphenyl)propylideneamino]cyclohexanecarboxamide
CID 5411890
cyclohexane;(6-methoxynaphthalen-2-yl)-piperidin-3-ylmethanone;prop-1-ene
CID 177314037
(4-nitrophenyl) (3E,5E)-6-cyclohexyl-6-(4-methoxyphenyl)hexa-3,5-dienoate
CID 152664873
(7-methoxynaphthalen-2-yl) cyclohexanecarboxylate
CID 60592496
cyclopentyl-[3-(4-methoxybenzoyl)piperidin-1-yl]methanone
CID 110394678

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[2-cyclohexyl-2-(4-methoxyphenyl)ethenyl]-2,5-dimethylbenzene?
The IUPAC name of 1,4-bis[2-cyclohexyl-2-(4-methoxyphenyl)ethenyl]-2,5-dimethylbenzene (CID 54529441) is 1,4-bis[2-cyclohexyl-2-(4-methoxyphenyl)ethenyl]-2,5-dimethylbenzene.
What is the SMILES notation for 1,4-bis[2-cyclohexyl-2-(4-methoxyphenyl)ethenyl]-2,5-dimethylbenzene?
The canonical SMILES for 1,4-bis[2-cyclohexyl-2-(4-methoxyphenyl)ethenyl]-2,5-dimethylbenzene is COc1ccc(C(=Cc2cc(C)c(C=C(c3ccc(OC)cc3)C3CCCCC3)cc2C)C2CCCCC2)cc1.
What is the InChIKey of 1,4-bis[2-cyclohexyl-2-(4-methoxyphenyl)ethenyl]-2,5-dimethylbenzene?
The InChIKey is YVLRLUUPWYLLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H46O2/c1-27-23-34(26-38(30-13-9-6-10-14-30)32-17-21-36(40-4)22-18-32)28(2)24-33(27)25-37(29-11-7-5-8-12-29)31-15-19-35(39-3)20-16-31/h15-26,29-30H,5-14H2,1-4H3.
What are the key properties of 1,4-bis[2-cyclohexyl-2-(4-methoxyphenyl)ethenyl]-2,5-dimethylbenzene?
1,4-bis[2-cyclohexyl-2-(4-methoxyphenyl)ethenyl]-2,5-dimethylbenzene has a molecular weight of 534.78 g/mol, XLogP of 10.56, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[2-cyclohexyl-2-(4-methoxyphenyl)ethenyl]-2,5-dimethylbenzene is sourced from PubChem (CID 54529441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).