4-bromo-2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]phenol

C16H15BrO3 — CID 118720091

IUPAC4-bromo-2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]phenol
SMILESCOc1ccc(/C=C/c2cc(Br)ccc2O)c(OC)c1
InChIInChI=1S/C16H15BrO3/c1-19-14-7-5-11(16(10-14)20-2)3-4-12-9-13(17)6-8-15(12)18/h3-10,18H,1-2H3/b4-3+
InChIKeyLWRLVHQWPKEVPP-ONEGZZNKSA-N
MW335.20 g/mol
LogP4.34
Rot. Bonds4

About 4-bromo-2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]phenol

4-bromo-2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]phenol (PubChem CID 118720091) has the molecular formula C16H15BrO3 and a molecular weight of 335.20 g/mol. Its IUPAC name is 4-bromo-2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]phenol
PubChem CID118720091
Molecular FormulaC16H15BrO3
Molecular Weight335.20 g/mol
Exact Mass334.02
IUPAC Name4-bromo-2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]phenol
SMILESCOc1ccc(/C=C/c2cc(Br)ccc2O)c(OC)c1
InChIInChI=1S/C16H15BrO3/c1-19-14-7-5-11(16(10-14)20-2)3-4-12-9-13(17)6-8-15(12)18/h3-10,18H,1-2H3/b4-3+
InChIKeyLWRLVHQWPKEVPP-ONEGZZNKSA-N
XLogP4.34
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Xenognosin
CID 5281296
3-Methoxy-4-((2E)-3-phenyl-2-propen-1-yl)phenol
CID 6450240
Broussonin A
CID 5315502
4-(3-(2,4,6-Trimethoxyphenyl)propyl)benzene-1,3-diol
CID 44611843
5-Bromo-2-methoxybenzyl alcohol
CID 612298
2-[2-(3,5-Dimethoxy-phenyl)-vinyl]-5-methoxy-phenol
CID 11066044
Termilignan
CID 466076
4-Vinyl-3-methoxyphenol
CID 6429334
Broussonin B
CID 5315503
4-(3-(4-Hydroxy-2-methoxyphenyl)propyl)-2-(3-methylbut-2-en-1-yl)phenol
CID 10958364
5-Methoxy-2-methylphenol
CID 10953582
3-Bromo-2,6-dimethoxytoluene
CID 10889743

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]phenol?
The IUPAC name of 4-bromo-2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]phenol (CID 118720091) is 4-bromo-2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]phenol.
What is the SMILES notation for 4-bromo-2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]phenol?
The canonical SMILES for 4-bromo-2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]phenol is COc1ccc(/C=C/c2cc(Br)ccc2O)c(OC)c1.
What is the InChIKey of 4-bromo-2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]phenol?
The InChIKey is LWRLVHQWPKEVPP-ONEGZZNKSA-N. The full InChI is InChI=1S/C16H15BrO3/c1-19-14-7-5-11(16(10-14)20-2)3-4-12-9-13(17)6-8-15(12)18/h3-10,18H,1-2H3/b4-3+.
What are the key properties of 4-bromo-2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]phenol?
4-bromo-2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]phenol has a molecular weight of 335.20 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]phenol is sourced from PubChem (CID 118720091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).