5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]-3-methylbenzoic acid

C15H11BrClFO3 — CID 114849492

IUPAC5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]-3-methylbenzoic acid
SMILESCc1cc(Br)cc(C(=O)O)c1OCc1ccc(Cl)cc1F
InChIInChI=1S/C15H11BrClFO3/c1-8-4-10(16)5-12(15(19)20)14(8)21-7-9-2-3-11(17)6-13(9)18/h2-6H,7H2,1H3,(H,19,20)
InChIKeyMKUZOQCYCACEIC-UHFFFAOYSA-N
MW373.61 g/mol
LogP4.83
Rot. Bonds4

About 5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]-3-methylbenzoic acid

5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]-3-methylbenzoic acid (PubChem CID 114849492) has the molecular formula C15H11BrClFO3 and a molecular weight of 373.61 g/mol. Its IUPAC name is 5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]-3-methylbenzoic acid.

Molecular Properties

Compound Name5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]-3-methylbenzoic acid
PubChem CID114849492
Molecular FormulaC15H11BrClFO3
Molecular Weight373.61 g/mol
Exact Mass371.96
IUPAC Name5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]-3-methylbenzoic acid
SMILESCc1cc(Br)cc(C(=O)O)c1OCc1ccc(Cl)cc1F
InChIInChI=1S/C15H11BrClFO3/c1-8-4-10(16)5-12(15(19)20)14(8)21-7-9-2-3-11(17)6-13(9)18/h2-6H,7H2,1H3,(H,19,20)
InChIKeyMKUZOQCYCACEIC-UHFFFAOYSA-N
XLogP4.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.61
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]-3-methylbenzoic acid
CID 115962056
5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]-3-methylbenzoic acid
CID 102616221
5-bromo-2-[(3-fluorophenyl)methoxy]-3-methylbenzoic acid
CID 115961948
5-bromo-2-[(4-ethylphenyl)methoxy]-3-methylbenzoic acid
CID 115962043
3-[(4-chloro-2-fluorophenyl)methoxy]-2-methylbenzoic acid
CID 114847687
5-bromo-2-[(3-bromophenyl)methoxy]-3-methylbenzoic acid
CID 115962071
5-bromo-3-methyl-2-[(3-methyl-2-pyridinyl)methoxy]benzoic acid
CID 115981987
5-[(4-bromo-2-fluorophenyl)methoxy]-2-chlorobenzoic acid
CID 106500714
5-bromo-3-methyl-2-[(3-methylimidazol-4-yl)methoxy]benzoic acid
CID 112620901
5-bromo-2-(3-methoxypropoxy)-3-methylbenzoic acid
CID 112620911
1-(bromomethyl)-2-[(4-chloro-2-fluorophenyl)methoxy]-3-methylbenzene
CID 114850389
4-chloro-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid
CID 102875975

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]-3-methylbenzoic acid?
The IUPAC name of 5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]-3-methylbenzoic acid (CID 114849492) is 5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]-3-methylbenzoic acid.
What is the SMILES notation for 5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]-3-methylbenzoic acid?
The canonical SMILES for 5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]-3-methylbenzoic acid is Cc1cc(Br)cc(C(=O)O)c1OCc1ccc(Cl)cc1F.
What is the InChIKey of 5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]-3-methylbenzoic acid?
The InChIKey is MKUZOQCYCACEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClFO3/c1-8-4-10(16)5-12(15(19)20)14(8)21-7-9-2-3-11(17)6-13(9)18/h2-6H,7H2,1H3,(H,19,20).
What are the key properties of 5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]-3-methylbenzoic acid?
5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]-3-methylbenzoic acid has a molecular weight of 373.61 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]-3-methylbenzoic acid is sourced from PubChem (CID 114849492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).