2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]acetic acid

C10H11BrO5 — CID 900384

IUPAC2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]acetic acid
SMILESCOc1cc(CO)cc(Br)c1OCC(=O)O
InChIInChI=1S/C10H11BrO5/c1-15-8-3-6(4-12)2-7(11)10(8)16-5-9(13)14/h2-3,12H,4-5H2,1H3,(H,13,14)
InChIKeyVJXXDNCSRIIQSG-UHFFFAOYSA-N
MW291.10 g/mol
LogP1.41
Rot. Bonds5

About 2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]acetic acid

2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]acetic acid (PubChem CID 900384) has the molecular formula C10H11BrO5 and a molecular weight of 291.10 g/mol. Its IUPAC name is 2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]acetic acid
PubChem CID900384
Molecular FormulaC10H11BrO5
Molecular Weight291.10 g/mol
Exact Mass289.98
IUPAC Name2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]acetic acid
SMILESCOc1cc(CO)cc(Br)c1OCC(=O)O
InChIInChI=1S/C10H11BrO5/c1-15-8-3-6(4-12)2-7(11)10(8)16-5-9(13)14/h2-3,12H,4-5H2,1H3,(H,13,14)
InChIKeyVJXXDNCSRIIQSG-UHFFFAOYSA-N
XLogP1.41
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.10
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Bromo-4-(cyclopentyloxy)-5-methoxybenzoic acid
CID 834727
(2-Bromo-4-methylphenoxy)acetic acid
CID 334083
(2E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enoic acid
CID 735789
2-[5-Bromo-2-ethoxy-4-(hydroxymethyl)phenoxy]acetic acid
CID 894165
2-[2-Bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]acetamide
CID 2990973
Qabmwyherqjvht-uhfffaoysa-
CID 11219575
3-Bromo-5-methoxy-4-propoxybenzoic acid
CID 2414285
3-Bromo-4-hydroxy-5-methoxybenzyl alcohol
CID 2794947
3-Bromo-4-ethoxy-5-methoxybenzoic acid
CID 2424211
2-(2-Bromo-4-methylphenoxy)propanoic acid
CID 16769062
3-Bromo-4-hydroxy-5-methoxyphenylacetic acid
CID 519805
[2-Bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]acetic acid
CID 900368

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]acetic acid?
The IUPAC name of 2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]acetic acid (CID 900384) is 2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]acetic acid.
What is the SMILES notation for 2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]acetic acid?
The canonical SMILES for 2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]acetic acid is COc1cc(CO)cc(Br)c1OCC(=O)O.
What is the InChIKey of 2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]acetic acid?
The InChIKey is VJXXDNCSRIIQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO5/c1-15-8-3-6(4-12)2-7(11)10(8)16-5-9(13)14/h2-3,12H,4-5H2,1H3,(H,13,14).
What are the key properties of 2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]acetic acid?
2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]acetic acid has a molecular weight of 291.10 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]acetic acid is sourced from PubChem (CID 900384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).