2-bromo-1,5-dimethoxy-3-[2-(4-methoxyphenyl)ethenyl]benzene

C17H17BrO3 — CID 68729529

IUPAC2-bromo-1,5-dimethoxy-3-[2-(4-methoxyphenyl)ethenyl]benzene
SMILESCOc1ccc(C=Cc2cc(OC)cc(OC)c2Br)cc1
InChIInChI=1S/C17H17BrO3/c1-19-14-8-5-12(6-9-14)4-7-13-10-15(20-2)11-16(21-3)17(13)18/h4-11H,1-3H3
InChIKeyKLCOUIBWIIBBNY-UHFFFAOYSA-N
MW349.22 g/mol
LogP4.65
Rot. Bonds5

About 2-bromo-1,5-dimethoxy-3-[2-(4-methoxyphenyl)ethenyl]benzene

2-bromo-1,5-dimethoxy-3-[2-(4-methoxyphenyl)ethenyl]benzene (PubChem CID 68729529) has the molecular formula C17H17BrO3 and a molecular weight of 349.22 g/mol. Its IUPAC name is 2-bromo-1,5-dimethoxy-3-[2-(4-methoxyphenyl)ethenyl]benzene.

Molecular Properties

Compound Name2-bromo-1,5-dimethoxy-3-[2-(4-methoxyphenyl)ethenyl]benzene
PubChem CID68729529
Molecular FormulaC17H17BrO3
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name2-bromo-1,5-dimethoxy-3-[2-(4-methoxyphenyl)ethenyl]benzene
SMILESCOc1ccc(C=Cc2cc(OC)cc(OC)c2Br)cc1
InChIInChI=1S/C17H17BrO3/c1-19-14-8-5-12(6-9-14)4-7-13-10-15(20-2)11-16(21-3)17(13)18/h4-11H,1-3H3
InChIKeyKLCOUIBWIIBBNY-UHFFFAOYSA-N
XLogP4.65
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dibromo-1,5-dimethoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 59502123
2-[1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethenyl]-1,5-dimethoxy-3-[2-(4-methoxyphenyl)ethenyl]benzene
CID 123758445
2-[(E)-1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethenyl]-1,5-dimethoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 89202401
2-bromo-1-methoxy-4-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene
CID 92898574
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]-(3,5-dimethoxyphenyl)methanol
CID 90702066
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-[(Z)-2-(2,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
CID 6604874
1-[(E)-2-(4-chlorophenyl)ethenyl]-3,5-dimethoxy-2-[(4-methoxyphenyl)methyl]benzene
CID 175647412
1,4-diiodo-2,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 101211712
1-[(E)-2-(2-bromo-3-methoxyphenyl)ethenyl]-2,4-dimethoxybenzene
CID 59502056
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,5-dimethoxy-3-[2-(4-methoxyphenyl)ethenyl]benzene?
The IUPAC name of 2-bromo-1,5-dimethoxy-3-[2-(4-methoxyphenyl)ethenyl]benzene (CID 68729529) is 2-bromo-1,5-dimethoxy-3-[2-(4-methoxyphenyl)ethenyl]benzene.
What is the SMILES notation for 2-bromo-1,5-dimethoxy-3-[2-(4-methoxyphenyl)ethenyl]benzene?
The canonical SMILES for 2-bromo-1,5-dimethoxy-3-[2-(4-methoxyphenyl)ethenyl]benzene is COc1ccc(C=Cc2cc(OC)cc(OC)c2Br)cc1.
What is the InChIKey of 2-bromo-1,5-dimethoxy-3-[2-(4-methoxyphenyl)ethenyl]benzene?
The InChIKey is KLCOUIBWIIBBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO3/c1-19-14-8-5-12(6-9-14)4-7-13-10-15(20-2)11-16(21-3)17(13)18/h4-11H,1-3H3.
What are the key properties of 2-bromo-1,5-dimethoxy-3-[2-(4-methoxyphenyl)ethenyl]benzene?
2-bromo-1,5-dimethoxy-3-[2-(4-methoxyphenyl)ethenyl]benzene has a molecular weight of 349.22 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,5-dimethoxy-3-[2-(4-methoxyphenyl)ethenyl]benzene is sourced from PubChem (CID 68729529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).