(3-bromo-2-fluoro-6-methoxy-5-methylphenyl)methanol

C9H10BrFO2 — CID 84706876

IUPAC(3-bromo-2-fluoro-6-methoxy-5-methylphenyl)methanol
SMILESCOc1c(C)cc(Br)c(F)c1CO
InChIInChI=1S/C9H10BrFO2/c1-5-3-7(10)8(11)6(4-12)9(5)13-2/h3,12H,4H2,1-2H3
InChIKeyAXZIWAHVLYSLFH-UHFFFAOYSA-N
MW249.08 g/mol
LogP2.40
Rot. Bonds2

About (3-bromo-2-fluoro-6-methoxy-5-methylphenyl)methanol

(3-bromo-2-fluoro-6-methoxy-5-methylphenyl)methanol (PubChem CID 84706876) has the molecular formula C9H10BrFO2 and a molecular weight of 249.08 g/mol. Its IUPAC name is (3-bromo-2-fluoro-6-methoxy-5-methylphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-2-fluoro-6-methoxy-5-methylphenyl)methanol
PubChem CID84706876
Molecular FormulaC9H10BrFO2
Molecular Weight249.08 g/mol
Exact Mass247.98
IUPAC Name(3-bromo-2-fluoro-6-methoxy-5-methylphenyl)methanol
SMILESCOc1c(C)cc(Br)c(F)c1CO
InChIInChI=1S/C9H10BrFO2/c1-5-3-7(10)8(11)6(4-12)9(5)13-2/h3,12H,4H2,1-2H3
InChIKeyAXZIWAHVLYSLFH-UHFFFAOYSA-N
XLogP2.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.08
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-dimethoxy-4,6-dimethylphenyl)methanol
CID 84666963
2-(3-bromo-2,6-difluoro-5-methylphenyl)ethanol
CID 117380280
N-[(5-bromo-2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine
CID 84807331
(2,3,5-trifluoro-6-methoxy-4-methylphenyl)methanol
CID 14520266
(3-bromo-4-fluoro-5-methoxyphenyl)methanol
CID 84698241
N-[(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)methyl]hydroxylamine
CID 117414317
(5-bromo-2-methoxy-3-methylphenyl)methanol
CID 58993702
(5-fluoro-2-methoxy-3-methylphenyl)methanol
CID 84653739
(2-bromo-4-methylnaphthalen-1-yl)methanol
CID 15757585
4-bromo-2-fluoro-3-(hydroxymethyl)-6-methoxyphenol
CID 117380249
2-(3-bromo-2-methoxy-5,6-dimethylphenyl)ethanol
CID 117400973
3-(5-bromo-2-methoxy-3,6-dimethylphenyl)propanoic acid
CID 84814002

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluoro-6-methoxy-5-methylphenyl)methanol?
The IUPAC name of (3-bromo-2-fluoro-6-methoxy-5-methylphenyl)methanol (CID 84706876) is (3-bromo-2-fluoro-6-methoxy-5-methylphenyl)methanol.
What is the SMILES notation for (3-bromo-2-fluoro-6-methoxy-5-methylphenyl)methanol?
The canonical SMILES for (3-bromo-2-fluoro-6-methoxy-5-methylphenyl)methanol is COc1c(C)cc(Br)c(F)c1CO.
What is the InChIKey of (3-bromo-2-fluoro-6-methoxy-5-methylphenyl)methanol?
The InChIKey is AXZIWAHVLYSLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFO2/c1-5-3-7(10)8(11)6(4-12)9(5)13-2/h3,12H,4H2,1-2H3.
What are the key properties of (3-bromo-2-fluoro-6-methoxy-5-methylphenyl)methanol?
(3-bromo-2-fluoro-6-methoxy-5-methylphenyl)methanol has a molecular weight of 249.08 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluoro-6-methoxy-5-methylphenyl)methanol is sourced from PubChem (CID 84706876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).