4-bromo-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-5-methylphenol

C16H15BrO3 — CID 156557949

IUPAC4-bromo-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-5-methylphenol
SMILESCOc1cc(/C=C/c2cc(O)cc(C)c2Br)ccc1O
InChIInChI=1S/C16H15BrO3/c1-10-7-13(18)9-12(16(10)17)5-3-11-4-6-14(19)15(8-11)20-2/h3-9,18-19H,1-2H3/b5-3+
InChIKeyAATSNQCFWLXFTO-HWKANZROSA-N
MW335.20 g/mol
LogP4.35
Rot. Bonds3

About 4-bromo-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-5-methylphenol

4-bromo-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-5-methylphenol (PubChem CID 156557949) has the molecular formula C16H15BrO3 and a molecular weight of 335.20 g/mol. Its IUPAC name is 4-bromo-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-5-methylphenol.

Molecular Properties

Compound Name4-bromo-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-5-methylphenol
PubChem CID156557949
Molecular FormulaC16H15BrO3
Molecular Weight335.20 g/mol
Exact Mass334.02
IUPAC Name4-bromo-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-5-methylphenol
SMILESCOc1cc(/C=C/c2cc(O)cc(C)c2Br)ccc1O
InChIInChI=1S/C16H15BrO3/c1-10-7-13(18)9-12(16(10)17)5-3-11-4-6-14(19)15(8-11)20-2/h3-9,18-19H,1-2H3/b5-3+
InChIKeyAATSNQCFWLXFTO-HWKANZROSA-N
XLogP4.35
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-methoxyphenol
CID 10377070
4-chloro-3,5-dimethylphenol;2-methoxy-4-[(E)-prop-1-enyl]phenol
CID 155412642
4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-methoxyphenol
CID 11406193
3-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-5-(3-methylbut-2-enoxy)-4-(3-methylbut-2-enyl)phenol
CID 78078052
4-[(E)-2-(diphosphanyl)ethenyl]-2-methoxyphenol
CID 143209626
4-[2-(2-ethylphenyl)ethenyl]-2-methoxyphenol
CID 175950011
4-[(1E,3E)-4-(3,4-dimethoxyphenyl)buta-1,3-dienyl]-2-methoxyphenol
CID 87643823
2-methoxy-4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenol
CID 87643228
2-methoxy-4-[2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenol
CID 91447889
3-(4-hydroxy-3-methoxyphenyl)prop-2-enal;(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal
CID 172694499
ethane;(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal
CID 145227199
4-[(E)-3-hydroxybut-1-enyl]-2-methoxyphenol
CID 102548714

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-5-methylphenol?
The IUPAC name of 4-bromo-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-5-methylphenol (CID 156557949) is 4-bromo-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-5-methylphenol.
What is the SMILES notation for 4-bromo-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-5-methylphenol?
The canonical SMILES for 4-bromo-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-5-methylphenol is COc1cc(/C=C/c2cc(O)cc(C)c2Br)ccc1O.
What is the InChIKey of 4-bromo-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-5-methylphenol?
The InChIKey is AATSNQCFWLXFTO-HWKANZROSA-N. The full InChI is InChI=1S/C16H15BrO3/c1-10-7-13(18)9-12(16(10)17)5-3-11-4-6-14(19)15(8-11)20-2/h3-9,18-19H,1-2H3/b5-3+.
What are the key properties of 4-bromo-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-5-methylphenol?
4-bromo-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-5-methylphenol has a molecular weight of 335.20 g/mol, XLogP of 4.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-5-methylphenol is sourced from PubChem (CID 156557949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).