1-bromo-2-[2-(3,4-dimethoxyphenyl)ethenyl]-3,4-dimethylbenzene

C18H19BrO2 — CID 141307971

IUPAC1-bromo-2-[2-(3,4-dimethoxyphenyl)ethenyl]-3,4-dimethylbenzene
SMILESCOc1ccc(C=Cc2c(Br)ccc(C)c2C)cc1OC
InChIInChI=1S/C18H19BrO2/c1-12-5-9-16(19)15(13(12)2)8-6-14-7-10-17(20-3)18(11-14)21-4/h5-11H,1-4H3
InChIKeyFNLVJVGWEDOJAY-UHFFFAOYSA-N
MW347.25 g/mol
LogP5.25
Rot. Bonds4

About 1-bromo-2-[2-(3,4-dimethoxyphenyl)ethenyl]-3,4-dimethylbenzene

1-bromo-2-[2-(3,4-dimethoxyphenyl)ethenyl]-3,4-dimethylbenzene (PubChem CID 141307971) has the molecular formula C18H19BrO2 and a molecular weight of 347.25 g/mol. Its IUPAC name is 1-bromo-2-[2-(3,4-dimethoxyphenyl)ethenyl]-3,4-dimethylbenzene.

Molecular Properties

Compound Name1-bromo-2-[2-(3,4-dimethoxyphenyl)ethenyl]-3,4-dimethylbenzene
PubChem CID141307971
Molecular FormulaC18H19BrO2
Molecular Weight347.25 g/mol
Exact Mass346.06
IUPAC Name1-bromo-2-[2-(3,4-dimethoxyphenyl)ethenyl]-3,4-dimethylbenzene
SMILESCOc1ccc(C=Cc2c(Br)ccc(C)c2C)cc1OC
InChIInChI=1S/C18H19BrO2/c1-12-5-9-16(19)15(13(12)2)8-6-14-7-10-17(20-3)18(11-14)21-4/h5-11H,1-4H3
InChIKeyFNLVJVGWEDOJAY-UHFFFAOYSA-N
XLogP5.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.25
LogP ≤ 55.25
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-bromo-4-[(E)-2-(4-fluorophenyl)ethenyl]-2-methoxybenzene
CID 130290825
2-[2-(3,4-dimethoxyphenyl)ethenyl]-6-methyl-1-benzofuran
CID 67059528
4-[(E)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]sulfanylethenyl]-1,2-dimethoxybenzene
CID 101201572
2-bromo-1-methoxy-4-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene
CID 92898574
2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-methylthiophene
CID 18738932
[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-trimethylstannane
CID 10806085
1,2-dimethoxy-4-penta-1,3-dienylbenzene
CID 141114401
2-(3,4-dimethoxyphenyl)-N-methylethenamine
CID 174355717
3-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)prop-2-en-1-one
CID 4811069
1,2,3,4,5-pentabromo-6-[2-[4-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]ethenyl]benzene
CID 141245082
[2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenyl]azanium
CID 58281563
5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]-2-methylphenol
CID 59149568

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[2-(3,4-dimethoxyphenyl)ethenyl]-3,4-dimethylbenzene?
The IUPAC name of 1-bromo-2-[2-(3,4-dimethoxyphenyl)ethenyl]-3,4-dimethylbenzene (CID 141307971) is 1-bromo-2-[2-(3,4-dimethoxyphenyl)ethenyl]-3,4-dimethylbenzene.
What is the SMILES notation for 1-bromo-2-[2-(3,4-dimethoxyphenyl)ethenyl]-3,4-dimethylbenzene?
The canonical SMILES for 1-bromo-2-[2-(3,4-dimethoxyphenyl)ethenyl]-3,4-dimethylbenzene is COc1ccc(C=Cc2c(Br)ccc(C)c2C)cc1OC.
What is the InChIKey of 1-bromo-2-[2-(3,4-dimethoxyphenyl)ethenyl]-3,4-dimethylbenzene?
The InChIKey is FNLVJVGWEDOJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrO2/c1-12-5-9-16(19)15(13(12)2)8-6-14-7-10-17(20-3)18(11-14)21-4/h5-11H,1-4H3.
What are the key properties of 1-bromo-2-[2-(3,4-dimethoxyphenyl)ethenyl]-3,4-dimethylbenzene?
1-bromo-2-[2-(3,4-dimethoxyphenyl)ethenyl]-3,4-dimethylbenzene has a molecular weight of 347.25 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[2-(3,4-dimethoxyphenyl)ethenyl]-3,4-dimethylbenzene is sourced from PubChem (CID 141307971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).