2-bromo-5-(hydroxymethyl)benzoic acid

C8H7BrO3 — CID 58334636

IUPAC2-bromo-5-(hydroxymethyl)benzoic acid
SMILESO=C(O)c1cc(CO)ccc1Br
InChIInChI=1S/C8H7BrO3/c9-7-2-1-5(4-10)3-6(7)8(11)12/h1-3,10H,4H2,(H,11,12)
InChIKeyAWJRTSLWIVNCNW-UHFFFAOYSA-N
MW231.04 g/mol
LogP1.64
Rot. Bonds2

About 2-bromo-5-(hydroxymethyl)benzoic acid

2-bromo-5-(hydroxymethyl)benzoic acid (PubChem CID 58334636) has the molecular formula C8H7BrO3 and a molecular weight of 231.04 g/mol. Its IUPAC name is 2-bromo-5-(hydroxymethyl)benzoic acid.

Molecular Properties

Compound Name2-bromo-5-(hydroxymethyl)benzoic acid
PubChem CID58334636
Molecular FormulaC8H7BrO3
Molecular Weight231.04 g/mol
Exact Mass229.96
IUPAC Name2-bromo-5-(hydroxymethyl)benzoic acid
SMILESO=C(O)c1cc(CO)ccc1Br
InChIInChI=1S/C8H7BrO3/c9-7-2-1-5(4-10)3-6(7)8(11)12/h1-3,10H,4H2,(H,11,12)
InChIKeyAWJRTSLWIVNCNW-UHFFFAOYSA-N
XLogP1.64
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.04
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-5-(hydroxymethyl)benzoic acid;hydrate
CID 143701810
2-bromo-5-(phenoxymethyl)benzoic acid
CID 117221773
2-bromo-5-(propan-2-ylsulfanylmethyl)benzoic acid
CID 117222092
2-ethoxy-5-(hydroxymethyl)benzoic acid
CID 163697379
4-(hydroxymethyl)-2-methylbenzoic acid
CID 23212172
5-(hydroxymethyl)-2-(trifluoromethyl)benzoic acid
CID 10867785
2-bromo-5-methylbenzoic acid;ethane
CID 142935649
2-bromo-5-(dihydroxymethyl)benzoic acid
CID 91427555
2-bromo-5-phenylmethoxybenzoic acid
CID 15891190
1-bromo-1-[2-bromo-5-(hydroxymethyl)phenyl]propan-2-one
CID 131190688
1-(2-bromo-5-ethylphenyl)ethanone
CID 83988474
2-bromo-5-(difluoromethyl)benzoic acid
CID 84707310

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(hydroxymethyl)benzoic acid?
The IUPAC name of 2-bromo-5-(hydroxymethyl)benzoic acid (CID 58334636) is 2-bromo-5-(hydroxymethyl)benzoic acid.
What is the SMILES notation for 2-bromo-5-(hydroxymethyl)benzoic acid?
The canonical SMILES for 2-bromo-5-(hydroxymethyl)benzoic acid is O=C(O)c1cc(CO)ccc1Br.
What is the InChIKey of 2-bromo-5-(hydroxymethyl)benzoic acid?
The InChIKey is AWJRTSLWIVNCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrO3/c9-7-2-1-5(4-10)3-6(7)8(11)12/h1-3,10H,4H2,(H,11,12).
What are the key properties of 2-bromo-5-(hydroxymethyl)benzoic acid?
2-bromo-5-(hydroxymethyl)benzoic acid has a molecular weight of 231.04 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(hydroxymethyl)benzoic acid is sourced from PubChem (CID 58334636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).