2-bromo-4-(2-methoxyphenoxy)benzoic acid

C14H11BrO4 — CID 107282440

IUPAC2-bromo-4-(2-methoxyphenoxy)benzoic acid
SMILESCOc1ccccc1Oc1ccc(C(=O)O)c(Br)c1
InChIInChI=1S/C14H11BrO4/c1-18-12-4-2-3-5-13(12)19-9-6-7-10(14(16)17)11(15)8-9/h2-8H,1H3,(H,16,17)
InChIKeyCLWBBOACBLGRBN-UHFFFAOYSA-N
MW323.14 g/mol
LogP3.95
Rot. Bonds4

About 2-bromo-4-(2-methoxyphenoxy)benzoic acid

2-bromo-4-(2-methoxyphenoxy)benzoic acid (PubChem CID 107282440) has the molecular formula C14H11BrO4 and a molecular weight of 323.14 g/mol. Its IUPAC name is 2-bromo-4-(2-methoxyphenoxy)benzoic acid.

Molecular Properties

Compound Name2-bromo-4-(2-methoxyphenoxy)benzoic acid
PubChem CID107282440
Molecular FormulaC14H11BrO4
Molecular Weight323.14 g/mol
Exact Mass321.98
IUPAC Name2-bromo-4-(2-methoxyphenoxy)benzoic acid
SMILESCOc1ccccc1Oc1ccc(C(=O)O)c(Br)c1
InChIInChI=1S/C14H11BrO4/c1-18-12-4-2-3-5-13(12)19-9-6-7-10(14(16)17)11(15)8-9/h2-8H,1H3,(H,16,17)
InChIKeyCLWBBOACBLGRBN-UHFFFAOYSA-N
XLogP3.95
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.14
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-(2-tert-butylphenoxy)benzoic acid
CID 107282419
2-bromo-4-naphthalen-1-yloxybenzoic acid
CID 107282441
2-bromo-4-naphthalen-2-yloxybenzoic acid
CID 107282443
2-bromo-4-(2,4-dimethylphenoxy)benzoic acid
CID 107282422
2-bromo-4-(2,5-difluorophenoxy)benzoic acid
CID 107282547
2-bromo-4-(2-methyl-3-nitrophenoxy)benzoic acid
CID 107282523
2-bromo-4-(2-fluoro-5-methylphenoxy)benzoic acid
CID 107282560
2-bromo-4-(2-chloro-5-methylphenoxy)benzoic acid
CID 107282496
2-bromo-4-(2-chloro-4-methylphenoxy)benzoic acid
CID 107282511
5-fluoro-2-(2-methoxyphenoxy)benzoic acid
CID 43313324
methyl 2-amino-5-(2-methoxyphenoxy)benzoate
CID 61306841
2-methyl-4-(2-methylphenoxy)benzoic acid
CID 62135465

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2-methoxyphenoxy)benzoic acid?
The IUPAC name of 2-bromo-4-(2-methoxyphenoxy)benzoic acid (CID 107282440) is 2-bromo-4-(2-methoxyphenoxy)benzoic acid.
What is the SMILES notation for 2-bromo-4-(2-methoxyphenoxy)benzoic acid?
The canonical SMILES for 2-bromo-4-(2-methoxyphenoxy)benzoic acid is COc1ccccc1Oc1ccc(C(=O)O)c(Br)c1.
What is the InChIKey of 2-bromo-4-(2-methoxyphenoxy)benzoic acid?
The InChIKey is CLWBBOACBLGRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrO4/c1-18-12-4-2-3-5-13(12)19-9-6-7-10(14(16)17)11(15)8-9/h2-8H,1H3,(H,16,17).
What are the key properties of 2-bromo-4-(2-methoxyphenoxy)benzoic acid?
2-bromo-4-(2-methoxyphenoxy)benzoic acid has a molecular weight of 323.14 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2-methoxyphenoxy)benzoic acid is sourced from PubChem (CID 107282440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).