2-bromo-6-methoxy-3-[(Z)-2-methoxyethenyl]phenol

C10H11BrO3 — CID 125485258

IUPAC2-bromo-6-methoxy-3-[(Z)-2-methoxyethenyl]phenol
SMILESCO/C=C\c1ccc(OC)c(O)c1Br
InChIInChI=1S/C10H11BrO3/c1-13-6-5-7-3-4-8(14-2)10(12)9(7)11/h3-6,12H,1-2H3/b6-5-
InChIKeyPGASQHRCCORKMK-WAYWQWQTSA-N
MW259.10 g/mol
LogP2.78
Rot. Bonds3

About 2-bromo-6-methoxy-3-[(Z)-2-methoxyethenyl]phenol

2-bromo-6-methoxy-3-[(Z)-2-methoxyethenyl]phenol (PubChem CID 125485258) has the molecular formula C10H11BrO3 and a molecular weight of 259.10 g/mol. Its IUPAC name is 2-bromo-6-methoxy-3-[(Z)-2-methoxyethenyl]phenol.

Molecular Properties

Compound Name2-bromo-6-methoxy-3-[(Z)-2-methoxyethenyl]phenol
PubChem CID125485258
Molecular FormulaC10H11BrO3
Molecular Weight259.10 g/mol
Exact Mass257.99
IUPAC Name2-bromo-6-methoxy-3-[(Z)-2-methoxyethenyl]phenol
SMILESCO/C=C\c1ccc(OC)c(O)c1Br
InChIInChI=1S/C10H11BrO3/c1-13-6-5-7-3-4-8(14-2)10(12)9(7)11/h3-6,12H,1-2H3/b6-5-
InChIKeyPGASQHRCCORKMK-WAYWQWQTSA-N
XLogP2.78
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-bromo-3-chloro-6-methoxyphenol
CID 84700321
2-[[(Z)-(2-bromo-3-hydroxy-4-methoxyphenyl)methylideneamino]-(carboxymethyl)amino]acetic acid
CID 110506991
1,4-dimethoxy-2-(2-methoxyethenyl)benzene
CID 67174730
(4aZ,8aZ,12aZ,16aZ)-1,4,5,8,9,12,13,16-octamethoxytetraphenylene
CID 53328080
2-bromo-3-(1-hydroxypropyl)-6-methoxyphenol
CID 83951172
2,3-dibromo-4-hydroxy-5-methoxybenzaldehyde
CID 520452
2-(2-bromo-3-hydroxy-4-methoxyphenyl)-2-hydroxyacetonitrile
CID 14020190
1-(2,2-dibromoethenyl)-4-methoxynaphthalene
CID 154991789
3,6-dimethoxy-2-methylphenol
CID 13158257
4-bromo-3,5-dimethoxyphenol
CID 14339099
6-bromo-2-(3-bromo-2-hydroxy-6-methoxyphenyl)-3-methoxyphenol
CID 101087040
2-hydroxy-6-(3-hydroxyprop-1-enyl)-3-methoxybenzaldehyde
CID 169453822

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methoxy-3-[(Z)-2-methoxyethenyl]phenol?
The IUPAC name of 2-bromo-6-methoxy-3-[(Z)-2-methoxyethenyl]phenol (CID 125485258) is 2-bromo-6-methoxy-3-[(Z)-2-methoxyethenyl]phenol.
What is the SMILES notation for 2-bromo-6-methoxy-3-[(Z)-2-methoxyethenyl]phenol?
The canonical SMILES for 2-bromo-6-methoxy-3-[(Z)-2-methoxyethenyl]phenol is CO/C=C\c1ccc(OC)c(O)c1Br.
What is the InChIKey of 2-bromo-6-methoxy-3-[(Z)-2-methoxyethenyl]phenol?
The InChIKey is PGASQHRCCORKMK-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H11BrO3/c1-13-6-5-7-3-4-8(14-2)10(12)9(7)11/h3-6,12H,1-2H3/b6-5-.
What are the key properties of 2-bromo-6-methoxy-3-[(Z)-2-methoxyethenyl]phenol?
2-bromo-6-methoxy-3-[(Z)-2-methoxyethenyl]phenol has a molecular weight of 259.10 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methoxy-3-[(Z)-2-methoxyethenyl]phenol is sourced from PubChem (CID 125485258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).