1-[(E)-1-cyclohexyl-3-phenylprop-1-en-2-yl]-4-methoxybenzene

C22H26O — CID 11120345

IUPAC1-[(E)-1-cyclohexyl-3-phenylprop-1-en-2-yl]-4-methoxybenzene
SMILESCOc1ccc(/C(=C/C2CCCCC2)Cc2ccccc2)cc1
InChIInChI=1S/C22H26O/c1-23-22-14-12-20(13-15-22)21(16-18-8-4-2-5-9-18)17-19-10-6-3-7-11-19/h2,4-5,8-9,12-15,17,19H,3,6-7,10-11,16H2,1H3/b21-17+
InChIKeyFKQPVYIHKUVKNF-HEHNFIMWSA-N
MW306.45 g/mol
LogP5.90
Rot. Bonds5

About 1-[(E)-1-cyclohexyl-3-phenylprop-1-en-2-yl]-4-methoxybenzene

1-[(E)-1-cyclohexyl-3-phenylprop-1-en-2-yl]-4-methoxybenzene (PubChem CID 11120345) has the molecular formula C22H26O and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-[(E)-1-cyclohexyl-3-phenylprop-1-en-2-yl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[(E)-1-cyclohexyl-3-phenylprop-1-en-2-yl]-4-methoxybenzene
PubChem CID11120345
Molecular FormulaC22H26O
Molecular Weight306.45 g/mol
Exact Mass306.20
IUPAC Name1-[(E)-1-cyclohexyl-3-phenylprop-1-en-2-yl]-4-methoxybenzene
SMILESCOc1ccc(/C(=C/C2CCCCC2)Cc2ccccc2)cc1
InChIInChI=1S/C22H26O/c1-23-22-14-12-20(13-15-22)21(16-18-8-4-2-5-9-18)17-19-10-6-3-7-11-19/h2,4-5,8-9,12-15,17,19H,3,6-7,10-11,16H2,1H3/b21-17+
InChIKeyFKQPVYIHKUVKNF-HEHNFIMWSA-N
XLogP5.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.45
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(Z)-3-azido-1-cyclopentylprop-1-en-2-yl]-4-methoxybenzene
CID 10539088
1-[(Z)-2,4-diphenylbut-2-enyl]-4-methoxybenzene
CID 101240761
(NE)-N-[1-(4-methoxyphenyl)-2-phenylethylidene]hydroxylamine
CID 10060245
phenyl N-cyclohexyl-4-methoxybenzenecarboximidate
CID 134920007
(E)-N-methoxy-1-(4-methoxyphenyl)-2-phenylethanimine
CID 21473328
2-benzyl-4-oxo-4-phenylbutanoic acid;2-(cyclohexylmethyl)-4-(4-methoxyphenyl)-4-oxobutanoic acid
CID 161449495
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551232
N-[cyclopentyl(phenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 2964253
1-(1-cyclohexylethenyl)-4-methoxybenzene
CID 122206167
2-(4-methoxyphenyl)-N-[(1S,2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]cyclohexyl]acetamide
CID 1012646
4-methoxy-N-[1-(2-phenylacetyl)piperidin-4-yl]benzamide
CID 108548897
(3R)-N-[(4-methoxyphenyl)methyl]-3-(2-phenylacetyl)piperidine-1-carboxamide
CID 95710656

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1-cyclohexyl-3-phenylprop-1-en-2-yl]-4-methoxybenzene?
The IUPAC name of 1-[(E)-1-cyclohexyl-3-phenylprop-1-en-2-yl]-4-methoxybenzene (CID 11120345) is 1-[(E)-1-cyclohexyl-3-phenylprop-1-en-2-yl]-4-methoxybenzene.
What is the SMILES notation for 1-[(E)-1-cyclohexyl-3-phenylprop-1-en-2-yl]-4-methoxybenzene?
The canonical SMILES for 1-[(E)-1-cyclohexyl-3-phenylprop-1-en-2-yl]-4-methoxybenzene is COc1ccc(/C(=C/C2CCCCC2)Cc2ccccc2)cc1.
What is the InChIKey of 1-[(E)-1-cyclohexyl-3-phenylprop-1-en-2-yl]-4-methoxybenzene?
The InChIKey is FKQPVYIHKUVKNF-HEHNFIMWSA-N. The full InChI is InChI=1S/C22H26O/c1-23-22-14-12-20(13-15-22)21(16-18-8-4-2-5-9-18)17-19-10-6-3-7-11-19/h2,4-5,8-9,12-15,17,19H,3,6-7,10-11,16H2,1H3/b21-17+.
What are the key properties of 1-[(E)-1-cyclohexyl-3-phenylprop-1-en-2-yl]-4-methoxybenzene?
1-[(E)-1-cyclohexyl-3-phenylprop-1-en-2-yl]-4-methoxybenzene has a molecular weight of 306.45 g/mol, XLogP of 5.90, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-cyclohexyl-3-phenylprop-1-en-2-yl]-4-methoxybenzene is sourced from PubChem (CID 11120345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).