4-[(2,4-dibromophenoxy)methyl]benzoic acid

C14H10Br2O3 — CID 43235934

IUPAC4-[(2,4-dibromophenoxy)methyl]benzoic acid
SMILESO=C(O)c1ccc(COc2ccc(Br)cc2Br)cc1
InChIInChI=1S/C14H10Br2O3/c15-11-5-6-13(12(16)7-11)19-8-9-1-3-10(4-2-9)14(17)18/h1-7H,8H2,(H,17,18)
InChIKeyYWKFZHRXXLLAAF-UHFFFAOYSA-N
MW386.04 g/mol
LogP4.49
Rot. Bonds4

About 4-[(2,4-dibromophenoxy)methyl]benzoic acid

4-[(2,4-dibromophenoxy)methyl]benzoic acid (PubChem CID 43235934) has the molecular formula C14H10Br2O3 and a molecular weight of 386.04 g/mol. Its IUPAC name is 4-[(2,4-dibromophenoxy)methyl]benzoic acid.

Molecular Properties

Compound Name4-[(2,4-dibromophenoxy)methyl]benzoic acid
PubChem CID43235934
Molecular FormulaC14H10Br2O3
Molecular Weight386.04 g/mol
Exact Mass383.90
IUPAC Name4-[(2,4-dibromophenoxy)methyl]benzoic acid
SMILESO=C(O)c1ccc(COc2ccc(Br)cc2Br)cc1
InChIInChI=1S/C14H10Br2O3/c15-11-5-6-13(12(16)7-11)19-8-9-1-3-10(4-2-9)14(17)18/h1-7H,8H2,(H,17,18)
InChIKeyYWKFZHRXXLLAAF-UHFFFAOYSA-N
XLogP4.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.04
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-bromo-2-ethylphenoxy)methyl]benzoic acid
CID 20984290
4-[(4-bromo-2-tert-butylphenoxy)methyl]benzoic acid
CID 20988596
3-bromo-4-[(4-methylphenyl)methoxy]benzoic acid
CID 8706873
4-[[(3-bromo-4-phenylmethoxyphenyl)methylamino]methyl]benzoic acid
CID 17158211
3-bromo-4-(pyridin-4-ylmethoxy)benzoic acid
CID 63050770
4-[(4-bromophenyl)methoxy]benzoic acid
CID 8706939
3-bromo-4-[(3-bromo-5-fluorophenyl)methoxy]benzoic acid
CID 79706770
4-[(3-bromo-4-methoxyphenyl)methoxy]-3-methoxybenzoic acid
CID 45397817
3-bromo-4-[(4-bromo-2-chlorophenoxy)methyl]benzoic acid
CID 102765413
3-bromo-4-[(4-fluorophenyl)methoxy]benzoate
CID 8706894
3-[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]prop-2-enoic acid
CID 76997982
3-bromo-4-phenylmethoxybenzohydrazide
CID 54793170

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dibromophenoxy)methyl]benzoic acid?
The IUPAC name of 4-[(2,4-dibromophenoxy)methyl]benzoic acid (CID 43235934) is 4-[(2,4-dibromophenoxy)methyl]benzoic acid.
What is the SMILES notation for 4-[(2,4-dibromophenoxy)methyl]benzoic acid?
The canonical SMILES for 4-[(2,4-dibromophenoxy)methyl]benzoic acid is O=C(O)c1ccc(COc2ccc(Br)cc2Br)cc1.
What is the InChIKey of 4-[(2,4-dibromophenoxy)methyl]benzoic acid?
The InChIKey is YWKFZHRXXLLAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2O3/c15-11-5-6-13(12(16)7-11)19-8-9-1-3-10(4-2-9)14(17)18/h1-7H,8H2,(H,17,18).
What are the key properties of 4-[(2,4-dibromophenoxy)methyl]benzoic acid?
4-[(2,4-dibromophenoxy)methyl]benzoic acid has a molecular weight of 386.04 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dibromophenoxy)methyl]benzoic acid is sourced from PubChem (CID 43235934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).