(2-bromo-4-fluoro-3-methoxyphenyl)methanol

C8H8BrFO2 — CID 131627994

IUPAC(2-bromo-4-fluoro-3-methoxyphenyl)methanol
SMILESCOc1c(F)ccc(CO)c1Br
InChIInChI=1S/C8H8BrFO2/c1-12-8-6(10)3-2-5(4-11)7(8)9/h2-3,11H,4H2,1H3
InChIKeyJUCHTMNOMBRLRC-UHFFFAOYSA-N
MW235.05 g/mol
LogP2.09
Rot. Bonds2

About (2-bromo-4-fluoro-3-methoxyphenyl)methanol

(2-bromo-4-fluoro-3-methoxyphenyl)methanol (PubChem CID 131627994) has the molecular formula C8H8BrFO2 and a molecular weight of 235.05 g/mol. Its IUPAC name is (2-bromo-4-fluoro-3-methoxyphenyl)methanol.

Molecular Properties

Compound Name(2-bromo-4-fluoro-3-methoxyphenyl)methanol
PubChem CID131627994
Molecular FormulaC8H8BrFO2
Molecular Weight235.05 g/mol
Exact Mass233.97
IUPAC Name(2-bromo-4-fluoro-3-methoxyphenyl)methanol
SMILESCOc1c(F)ccc(CO)c1Br
InChIInChI=1S/C8H8BrFO2/c1-12-8-6(10)3-2-5(4-11)7(8)9/h2-3,11H,4H2,1H3
InChIKeyJUCHTMNOMBRLRC-UHFFFAOYSA-N
XLogP2.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.05
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-6-(hydroxymethyl)-2-methoxyphenol
CID 84654293
(2-bromo-4-iodo-3-methoxyphenyl)methanol
CID 171007673
(2-chloro-4-fluoro-3-methoxyphenyl)methanol
CID 171005170
6-fluoro-3-(hydroxymethyl)-2-methoxyphenol
CID 117276907
methyl 2-bromo-6-fluoro-3-(hydroxymethyl)benzoate
CID 170987173
1-bromo-2,4-difluoro-3-methoxybenzene
CID 18371109
1-(2-bromo-4-fluoro-3-methoxyphenyl)ethanone
CID 171005543
1-[(3-bromo-4-fluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine
CID 117437511
(2-bromo-6-fluoro-3-methoxyphenyl)methanol
CID 83383602
1-bromo-4-fluoro-2,3-dimethoxybenzene
CID 58420229
3-fluoro-6-(3-hydroxypropyl)-2-methoxyphenol
CID 117289242
2-(3-bromo-4-fluoro-2-methoxyphenyl)-N-methylethanamine
CID 83902051

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-fluoro-3-methoxyphenyl)methanol?
The IUPAC name of (2-bromo-4-fluoro-3-methoxyphenyl)methanol (CID 131627994) is (2-bromo-4-fluoro-3-methoxyphenyl)methanol.
What is the SMILES notation for (2-bromo-4-fluoro-3-methoxyphenyl)methanol?
The canonical SMILES for (2-bromo-4-fluoro-3-methoxyphenyl)methanol is COc1c(F)ccc(CO)c1Br.
What is the InChIKey of (2-bromo-4-fluoro-3-methoxyphenyl)methanol?
The InChIKey is JUCHTMNOMBRLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFO2/c1-12-8-6(10)3-2-5(4-11)7(8)9/h2-3,11H,4H2,1H3.
What are the key properties of (2-bromo-4-fluoro-3-methoxyphenyl)methanol?
(2-bromo-4-fluoro-3-methoxyphenyl)methanol has a molecular weight of 235.05 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-fluoro-3-methoxyphenyl)methanol is sourced from PubChem (CID 131627994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).