2-[3-bromo-2-(hydroxymethyl)-6-methoxyphenoxy]acetic acid

C10H11BrO5 — CID 97179050

IUPAC2-[3-bromo-2-(hydroxymethyl)-6-methoxyphenoxy]acetic acid
SMILESCOc1ccc(Br)c(CO)c1OCC(=O)O
InChIInChI=1S/C10H11BrO5/c1-15-8-3-2-7(11)6(4-12)10(8)16-5-9(13)14/h2-3,12H,4-5H2,1H3,(H,13,14)
InChIKeyNBUWEEWNCNTLEL-UHFFFAOYSA-N
MW291.10 g/mol
LogP1.41
Rot. Bonds5

About 2-[3-bromo-2-(hydroxymethyl)-6-methoxyphenoxy]acetic acid

2-[3-bromo-2-(hydroxymethyl)-6-methoxyphenoxy]acetic acid (PubChem CID 97179050) has the molecular formula C10H11BrO5 and a molecular weight of 291.10 g/mol. Its IUPAC name is 2-[3-bromo-2-(hydroxymethyl)-6-methoxyphenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-bromo-2-(hydroxymethyl)-6-methoxyphenoxy]acetic acid
PubChem CID97179050
Molecular FormulaC10H11BrO5
Molecular Weight291.10 g/mol
Exact Mass289.98
IUPAC Name2-[3-bromo-2-(hydroxymethyl)-6-methoxyphenoxy]acetic acid
SMILESCOc1ccc(Br)c(CO)c1OCC(=O)O
InChIInChI=1S/C10H11BrO5/c1-15-8-3-2-7(11)6(4-12)10(8)16-5-9(13)14/h2-3,12H,4-5H2,1H3,(H,13,14)
InChIKeyNBUWEEWNCNTLEL-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

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Related Compounds

(2,3-dibromo-6-methoxyphenyl)methanol
CID 171002454
2-(2-bromo-6-methoxy-4-methylphenoxy)acetic acid
CID 172907938
2-[3-bromo-2-[(tert-butylamino)methyl]-6-methoxyphenoxy]-N-tert-butylacetamide
CID 66536168
3-bromo-2-(2-carboxyethyl)-6-methoxybenzoic acid
CID 131881631
2-[(6-bromo-2-ethoxy-3-methoxyphenyl)methylamino]-3-methylbutanoic acid
CID 66537455
6-bromo-2,3-dimethoxybenzoic acid
CID 11054430
2-(2-bromo-3,6-dimethoxyphenyl)acetic acid
CID 84810613
2-(2-formyl-6-methoxyphenoxy)acetic acid
CID 737589
2-[4-(2-bromoacetyl)-2-methoxyphenoxy]acetic acid
CID 140988709
2-[[6-bromo-3-methoxy-2-[(4-nitrophenyl)methoxy]phenyl]methylamino]acetic acid
CID 66536320
2-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propanoic acid
CID 66536547
1-(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)propan-2-one
CID 117484933

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-2-(hydroxymethyl)-6-methoxyphenoxy]acetic acid?
The IUPAC name of 2-[3-bromo-2-(hydroxymethyl)-6-methoxyphenoxy]acetic acid (CID 97179050) is 2-[3-bromo-2-(hydroxymethyl)-6-methoxyphenoxy]acetic acid.
What is the SMILES notation for 2-[3-bromo-2-(hydroxymethyl)-6-methoxyphenoxy]acetic acid?
The canonical SMILES for 2-[3-bromo-2-(hydroxymethyl)-6-methoxyphenoxy]acetic acid is COc1ccc(Br)c(CO)c1OCC(=O)O.
What is the InChIKey of 2-[3-bromo-2-(hydroxymethyl)-6-methoxyphenoxy]acetic acid?
The InChIKey is NBUWEEWNCNTLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO5/c1-15-8-3-2-7(11)6(4-12)10(8)16-5-9(13)14/h2-3,12H,4-5H2,1H3,(H,13,14).
What are the key properties of 2-[3-bromo-2-(hydroxymethyl)-6-methoxyphenoxy]acetic acid?
2-[3-bromo-2-(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-[3-bromo-2-(hydroxymethyl)-6-methoxyphenoxy]acetic acid is sourced from PubChem (CID 97179050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).