1-methoxy-4-[(E)-2-(4-methylphenyl)ethenyl]benzene

C16H16O — CID 639952

IUPAC1-methoxy-4-[(E)-2-(4-methylphenyl)ethenyl]benzene
SMILESCOc1ccc(/C=C/c2ccc(C)cc2)cc1
InChIInChI=1S/C16H16O/c1-13-3-5-14(6-4-13)7-8-15-9-11-16(17-2)12-10-15/h3-12H,1-2H3/b8-7+
InChIKeyUKUIMCCHHQZISK-BQYQJAHWSA-N
MW224.30 g/mol
LogP4.17
Rot. Bonds3

About 1-methoxy-4-[(E)-2-(4-methylphenyl)ethenyl]benzene

1-methoxy-4-[(E)-2-(4-methylphenyl)ethenyl]benzene (PubChem CID 639952) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-methoxy-4-[(E)-2-(4-methylphenyl)ethenyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[(E)-2-(4-methylphenyl)ethenyl]benzene
PubChem CID639952
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name1-methoxy-4-[(E)-2-(4-methylphenyl)ethenyl]benzene
SMILESCOc1ccc(/C=C/c2ccc(C)cc2)cc1
InChIInChI=1S/C16H16O/c1-13-3-5-14(6-4-13)7-8-15-9-11-16(17-2)12-10-15/h3-12H,1-2H3/b8-7+
InChIKeyUKUIMCCHHQZISK-BQYQJAHWSA-N
XLogP4.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Anethole
CID 637563
Estragole
CID 8815
Chlorotrianisene
CID 11289
5-(4-methoxyphenyl)-3H-1,2-dithiole-3-thione
CID 2194
4-Methylanisole
CID 7731
3-Methoxytoluene
CID 7530
cis-Anethole
CID 1549040
4-Propylanisole
CID 7702
2-Methylanisole
CID 33637
4-Methoxybiphenyl
CID 11943
Trismethoxyresveratrol
CID 5388063
4-Methoxystyrene
CID 12507

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(E)-2-(4-methylphenyl)ethenyl]benzene?
The IUPAC name of 1-methoxy-4-[(E)-2-(4-methylphenyl)ethenyl]benzene (CID 639952) is 1-methoxy-4-[(E)-2-(4-methylphenyl)ethenyl]benzene.
What is the SMILES notation for 1-methoxy-4-[(E)-2-(4-methylphenyl)ethenyl]benzene?
The canonical SMILES for 1-methoxy-4-[(E)-2-(4-methylphenyl)ethenyl]benzene is COc1ccc(/C=C/c2ccc(C)cc2)cc1.
What is the InChIKey of 1-methoxy-4-[(E)-2-(4-methylphenyl)ethenyl]benzene?
The InChIKey is UKUIMCCHHQZISK-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H16O/c1-13-3-5-14(6-4-13)7-8-15-9-11-16(17-2)12-10-15/h3-12H,1-2H3/b8-7+.
What are the key properties of 1-methoxy-4-[(E)-2-(4-methylphenyl)ethenyl]benzene?
1-methoxy-4-[(E)-2-(4-methylphenyl)ethenyl]benzene has a molecular weight of 224.30 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(E)-2-(4-methylphenyl)ethenyl]benzene is sourced from PubChem (CID 639952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).