2-bromo-1-methoxy-4-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene

C16H15BrO2 — CID 92898574

IUPAC2-bromo-1-methoxy-4-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene
SMILESCOc1ccc(/C=C\c2ccc(OC)c(Br)c2)cc1
InChIInChI=1S/C16H15BrO2/c1-18-14-8-5-12(6-9-14)3-4-13-7-10-16(19-2)15(17)11-13/h3-11H,1-2H3/b4-3-
InChIKeyCPRKXCZHCJICEH-ARJAWSKDSA-N
MW319.20 g/mol
LogP4.64
Rot. Bonds4

About 2-bromo-1-methoxy-4-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene

2-bromo-1-methoxy-4-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene (PubChem CID 92898574) has the molecular formula C16H15BrO2 and a molecular weight of 319.20 g/mol. Its IUPAC name is 2-bromo-1-methoxy-4-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene.

Molecular Properties

Compound Name2-bromo-1-methoxy-4-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene
PubChem CID92898574
Molecular FormulaC16H15BrO2
Molecular Weight319.20 g/mol
Exact Mass318.03
IUPAC Name2-bromo-1-methoxy-4-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene
SMILESCOc1ccc(/C=C\c2ccc(OC)c(Br)c2)cc1
InChIInChI=1S/C16H15BrO2/c1-18-14-8-5-12(6-9-14)3-4-13-7-10-16(19-2)15(17)11-13/h3-11H,1-2H3/b4-3-
InChIKeyCPRKXCZHCJICEH-ARJAWSKDSA-N
XLogP4.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 54.64
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-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
2,4-dibromo-1,5-dimethoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 59502123
4-[(Z)-2-(4-methoxyphenyl)ethenyl]-1,2-dimethylbenzene
CID 10999067
2-bromo-1,5-dimethoxy-3-[2-(4-methoxyphenyl)ethenyl]benzene
CID 68729529
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
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
1-(3-bromo-4-methoxyphenyl)-N-methoxymethanimine
CID 4181314
1,2-dichloro-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 122615244
1-bromo-4-[(E)-2-(4-fluorophenyl)ethenyl]-2-methoxybenzene
CID 130290825
1-[(Z)-2-bromoethenyl]-4-methoxybenzene
CID 6166616
1-methoxy-4-[(E)-2-[3-methoxy-4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-(trifluoromethyl)benzene
CID 90670107
4-[(E)-2-(4-methoxyphenyl)ethenyl]-2,6-dimethylpyridine
CID 102336030

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-methoxy-4-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene?
The IUPAC name of 2-bromo-1-methoxy-4-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene (CID 92898574) is 2-bromo-1-methoxy-4-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene.
What is the SMILES notation for 2-bromo-1-methoxy-4-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene?
The canonical SMILES for 2-bromo-1-methoxy-4-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene is COc1ccc(/C=C\c2ccc(OC)c(Br)c2)cc1.
What is the InChIKey of 2-bromo-1-methoxy-4-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene?
The InChIKey is CPRKXCZHCJICEH-ARJAWSKDSA-N. The full InChI is InChI=1S/C16H15BrO2/c1-18-14-8-5-12(6-9-14)3-4-13-7-10-16(19-2)15(17)11-13/h3-11H,1-2H3/b4-3-.
What are the key properties of 2-bromo-1-methoxy-4-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene?
2-bromo-1-methoxy-4-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene has a molecular weight of 319.20 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-methoxy-4-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene is sourced from PubChem (CID 92898574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).