2-[2-(4-methoxyphenyl)ethenyl]-1,3,5-trimethylbenzene

C18H20O — CID 69464209

IUPAC2-[2-(4-methoxyphenyl)ethenyl]-1,3,5-trimethylbenzene
SMILESCOc1ccc(C=Cc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C18H20O/c1-13-11-14(2)18(15(3)12-13)10-7-16-5-8-17(19-4)9-6-16/h5-12H,1-4H3
InChIKeyVZGRBHJOLBIEEO-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.79
Rot. Bonds3

About 2-[2-(4-methoxyphenyl)ethenyl]-1,3,5-trimethylbenzene

2-[2-(4-methoxyphenyl)ethenyl]-1,3,5-trimethylbenzene (PubChem CID 69464209) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)ethenyl]-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)ethenyl]-1,3,5-trimethylbenzene
PubChem CID69464209
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name2-[2-(4-methoxyphenyl)ethenyl]-1,3,5-trimethylbenzene
SMILESCOc1ccc(C=Cc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C18H20O/c1-13-11-14(2)18(15(3)12-13)10-7-16-5-8-17(19-4)9-6-16/h5-12H,1-4H3
InChIKeyVZGRBHJOLBIEEO-UHFFFAOYSA-N
XLogP4.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.79
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

1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
4-[(Z)-2-(4-methoxyphenyl)ethenyl]-1,2-dimethylbenzene
CID 10999067
2-[(E)-2-(4-ethylphenyl)ethenyl]-1,3,5-trimethylbenzene
CID 147588244
1,3-dichloro-5-methoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 125465485
1,3-dimethoxy-5-[2-(4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)ethenyl]benzene
CID 57369399
4-[(E)-2-(4-methoxyphenyl)ethenyl]-2,6-dimethylpyridine
CID 102336030
4-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]pyridine
CID 13257451
N-[4-[2-[4-[2-[4-(N-(2,4-dimethylphenyl)-4-methoxyanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,4-dimethyl-N-(4-methylphenyl)aniline
CID 58177550
2,4-dibromo-1,5-dimethoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 59502123
1-[(Z)-2-bromoethenyl]-4-methoxybenzene
CID 6166616
1,3-dimethoxy-5-[2-(4-methylphenyl)ethenyl]benzene
CID 58240360

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)ethenyl]-1,3,5-trimethylbenzene?
The IUPAC name of 2-[2-(4-methoxyphenyl)ethenyl]-1,3,5-trimethylbenzene (CID 69464209) is 2-[2-(4-methoxyphenyl)ethenyl]-1,3,5-trimethylbenzene.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)ethenyl]-1,3,5-trimethylbenzene?
The canonical SMILES for 2-[2-(4-methoxyphenyl)ethenyl]-1,3,5-trimethylbenzene is COc1ccc(C=Cc2c(C)cc(C)cc2C)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)ethenyl]-1,3,5-trimethylbenzene?
The InChIKey is VZGRBHJOLBIEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O/c1-13-11-14(2)18(15(3)12-13)10-7-16-5-8-17(19-4)9-6-16/h5-12H,1-4H3.
What are the key properties of 2-[2-(4-methoxyphenyl)ethenyl]-1,3,5-trimethylbenzene?
2-[2-(4-methoxyphenyl)ethenyl]-1,3,5-trimethylbenzene has a molecular weight of 252.36 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)ethenyl]-1,3,5-trimethylbenzene is sourced from PubChem (CID 69464209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).