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

C14H10Br2O4 — CID 104707938

IUPAC4-bromo-2-(2-bromo-4-methoxyphenoxy)benzoic acid
SMILESCOc1ccc(Oc2cc(Br)ccc2C(=O)O)c(Br)c1
InChIInChI=1S/C14H10Br2O4/c1-19-9-3-5-12(11(16)7-9)20-13-6-8(15)2-4-10(13)14(17)18/h2-7H,1H3,(H,17,18)
InChIKeyCOPMWVGHUVTDMR-UHFFFAOYSA-N
MW402.04 g/mol
LogP4.71
Rot. Bonds4

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

4-bromo-2-(2-bromo-4-methoxyphenoxy)benzoic acid (PubChem CID 104707938) has the molecular formula C14H10Br2O4 and a molecular weight of 402.04 g/mol. Its IUPAC name is 4-bromo-2-(2-bromo-4-methoxyphenoxy)benzoic acid.

Molecular Properties

Compound Name4-bromo-2-(2-bromo-4-methoxyphenoxy)benzoic acid
PubChem CID104707938
Molecular FormulaC14H10Br2O4
Molecular Weight402.04 g/mol
Exact Mass399.89
IUPAC Name4-bromo-2-(2-bromo-4-methoxyphenoxy)benzoic acid
SMILESCOc1ccc(Oc2cc(Br)ccc2C(=O)O)c(Br)c1
InChIInChI=1S/C14H10Br2O4/c1-19-9-3-5-12(11(16)7-9)20-13-6-8(15)2-4-10(13)14(17)18/h2-7H,1H3,(H,17,18)
InChIKeyCOPMWVGHUVTDMR-UHFFFAOYSA-N
XLogP4.71
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.04
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-bromo-2-(2-bromo-4-methoxyphenoxy)phenyl]ethanone
CID 104707843
4-bromo-2-(3-bromo-4-fluorophenoxy)benzoic acid
CID 83234465
2-(2-bromo-4-methoxyphenoxy)-5-chlorobenzoic acid
CID 104706931
2-amino-5-(2-bromo-4-methoxyphenoxy)benzoic acid
CID 104708170
5-bromo-2-(2,5-dibromo-4-methoxyphenoxy)benzoic acid
CID 114896173
5-bromo-2,4-dimethoxybenzoic acid;2,4-dimethoxybenzoic acid
CID 158809754
2-(2-bromo-4-methylphenoxy)-4-methylbenzoic acid
CID 63513152
2-[(5-bromo-2-pyridinyl)oxy]-4-methoxybenzoic acid
CID 61395986
2-(2-bromo-4-methoxyphenoxy)-3-chloropyridine-4-carboxylic acid
CID 107063613
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
5-bromo-2-(4-bromo-2-carboxyphenoxy)benzoic acid
CID 54758731

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2-bromo-4-methoxyphenoxy)benzoic acid?
The IUPAC name of 4-bromo-2-(2-bromo-4-methoxyphenoxy)benzoic acid (CID 104707938) is 4-bromo-2-(2-bromo-4-methoxyphenoxy)benzoic acid.
What is the SMILES notation for 4-bromo-2-(2-bromo-4-methoxyphenoxy)benzoic acid?
The canonical SMILES for 4-bromo-2-(2-bromo-4-methoxyphenoxy)benzoic acid is COc1ccc(Oc2cc(Br)ccc2C(=O)O)c(Br)c1.
What is the InChIKey of 4-bromo-2-(2-bromo-4-methoxyphenoxy)benzoic acid?
The InChIKey is COPMWVGHUVTDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2O4/c1-19-9-3-5-12(11(16)7-9)20-13-6-8(15)2-4-10(13)14(17)18/h2-7H,1H3,(H,17,18).
What are the key properties of 4-bromo-2-(2-bromo-4-methoxyphenoxy)benzoic acid?
4-bromo-2-(2-bromo-4-methoxyphenoxy)benzoic acid has a molecular weight of 402.04 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-bromo-4-methoxyphenoxy)benzoic acid is sourced from PubChem (CID 104707938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).