4-[(E)-1-cyclobutyl-3-(2-methylphenyl)hept-3-enyl]-2-methoxyphenol

C25H32O2 — CID 145054234

IUPAC4-[(E)-1-cyclobutyl-3-(2-methylphenyl)hept-3-enyl]-2-methoxyphenol
SMILESCCC/C=C(\CC(c1ccc(O)c(OC)c1)C1CCC1)c1ccccc1C
InChIInChI=1S/C25H32O2/c1-4-5-10-20(22-13-7-6-9-18(22)2)16-23(19-11-8-12-19)21-14-15-24(26)25(17-21)27-3/h6-7,9-10,13-15,17,19,23,26H,4-5,8,11-12,16H2,1-3H3/b20-10+
InChIKeyRDBGBYGARKPMIY-KEBDBYFISA-N
MW364.53 g/mol
LogP6.87
Rot. Bonds8

About 4-[(E)-1-cyclobutyl-3-(2-methylphenyl)hept-3-enyl]-2-methoxyphenol

4-[(E)-1-cyclobutyl-3-(2-methylphenyl)hept-3-enyl]-2-methoxyphenol (PubChem CID 145054234) has the molecular formula C25H32O2 and a molecular weight of 364.53 g/mol. Its IUPAC name is 4-[(E)-1-cyclobutyl-3-(2-methylphenyl)hept-3-enyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(E)-1-cyclobutyl-3-(2-methylphenyl)hept-3-enyl]-2-methoxyphenol
PubChem CID145054234
Molecular FormulaC25H32O2
Molecular Weight364.53 g/mol
Exact Mass364.24
IUPAC Name4-[(E)-1-cyclobutyl-3-(2-methylphenyl)hept-3-enyl]-2-methoxyphenol
SMILESCCC/C=C(\CC(c1ccc(O)c(OC)c1)C1CCC1)c1ccccc1C
InChIInChI=1S/C25H32O2/c1-4-5-10-20(22-13-7-6-9-18(22)2)16-23(19-11-8-12-19)21-14-15-24(26)25(17-21)27-3/h6-7,9-10,13-15,17,19,23,26H,4-5,8,11-12,16H2,1-3H3/b20-10+
InChIKeyRDBGBYGARKPMIY-KEBDBYFISA-N
XLogP6.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.53
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(E)-1-cyclobutyl-3-(2-methylphenyl)hept-3-enyl]-2-methoxyphenol with MolForge

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Related Compounds

2-cyclobutyl-2-(4-methoxy-3-methylphenyl)ethanamine
CID 82024046
1,5-di(cyclobutyl)-1,5-bis(3,4-dimethylphenyl)pentan-3-one
CID 73011541
4-[(1R)-1-aminopropyl]-2-methoxyphenol;hydrochloride
CID 171203078
4-[1-(1-cyclopropylpropan-2-ylamino)ethyl]-2-methoxyphenol
CID 63989091
4-[(1-cyclohexylpropylamino)methyl]-2-methoxyphenol
CID 62405202
1,5-dicyclopentyl-1,5-bis(3,4-dimethylphenyl)pentan-3-one
CID 73011666
2-cyclobutyl-2-(3,4-dimethoxyphenyl)-N-methylethanamine;hydrochloride
CID 71776049
(2S)-2-cyclobutyl-2-(3,4-dimethoxyphenyl)-N-methylethanamine;hydrochloride
CID 175283324
(Z)-1-(3-methoxyphenyl)-5-(2-methylphenyl)non-5-en-2-one;methylcycloheptane;molecular hydrogen
CID 171562984
N-[2-cyclohexyl-2-(3-methoxy-4-methylphenyl)ethyl]propan-2-amine
CID 82924013
4-butan-2-yl-2-methoxyphenol;methane
CID 158403359
3-cyclopropyl-3-(4-hydroxy-3-methylphenyl)propanoic acid
CID 117314089

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-1-cyclobutyl-3-(2-methylphenyl)hept-3-enyl]-2-methoxyphenol?
The IUPAC name of 4-[(E)-1-cyclobutyl-3-(2-methylphenyl)hept-3-enyl]-2-methoxyphenol (CID 145054234) is 4-[(E)-1-cyclobutyl-3-(2-methylphenyl)hept-3-enyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(E)-1-cyclobutyl-3-(2-methylphenyl)hept-3-enyl]-2-methoxyphenol?
The canonical SMILES for 4-[(E)-1-cyclobutyl-3-(2-methylphenyl)hept-3-enyl]-2-methoxyphenol is CCC/C=C(\CC(c1ccc(O)c(OC)c1)C1CCC1)c1ccccc1C.
What is the InChIKey of 4-[(E)-1-cyclobutyl-3-(2-methylphenyl)hept-3-enyl]-2-methoxyphenol?
The InChIKey is RDBGBYGARKPMIY-KEBDBYFISA-N. The full InChI is InChI=1S/C25H32O2/c1-4-5-10-20(22-13-7-6-9-18(22)2)16-23(19-11-8-12-19)21-14-15-24(26)25(17-21)27-3/h6-7,9-10,13-15,17,19,23,26H,4-5,8,11-12,16H2,1-3H3/b20-10+.
What are the key properties of 4-[(E)-1-cyclobutyl-3-(2-methylphenyl)hept-3-enyl]-2-methoxyphenol?
4-[(E)-1-cyclobutyl-3-(2-methylphenyl)hept-3-enyl]-2-methoxyphenol has a molecular weight of 364.53 g/mol, XLogP of 6.87, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1-cyclobutyl-3-(2-methylphenyl)hept-3-enyl]-2-methoxyphenol is sourced from PubChem (CID 145054234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).