2-[(2-bromophenyl)methoxy]-5-chloro-3-methoxybenzoic acid

C15H12BrClO4 — CID 104665659

IUPAC2-[(2-bromophenyl)methoxy]-5-chloro-3-methoxybenzoic acid
SMILESCOc1cc(Cl)cc(C(=O)O)c1OCc1ccccc1Br
InChIInChI=1S/C15H12BrClO4/c1-20-13-7-10(17)6-11(15(18)19)14(13)21-8-9-4-2-3-5-12(9)16/h2-7H,8H2,1H3,(H,18,19)
InChIKeyYTCMVMKVWHTCHD-UHFFFAOYSA-N
MW371.61 g/mol
LogP4.39
Rot. Bonds5

About 2-[(2-bromophenyl)methoxy]-5-chloro-3-methoxybenzoic acid

2-[(2-bromophenyl)methoxy]-5-chloro-3-methoxybenzoic acid (PubChem CID 104665659) has the molecular formula C15H12BrClO4 and a molecular weight of 371.61 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methoxy]-5-chloro-3-methoxybenzoic acid.

Molecular Properties

Compound Name2-[(2-bromophenyl)methoxy]-5-chloro-3-methoxybenzoic acid
PubChem CID104665659
Molecular FormulaC15H12BrClO4
Molecular Weight371.61 g/mol
Exact Mass369.96
IUPAC Name2-[(2-bromophenyl)methoxy]-5-chloro-3-methoxybenzoic acid
SMILESCOc1cc(Cl)cc(C(=O)O)c1OCc1ccccc1Br
InChIInChI=1S/C15H12BrClO4/c1-20-13-7-10(17)6-11(15(18)19)14(13)21-8-9-4-2-3-5-12(9)16/h2-7H,8H2,1H3,(H,18,19)
InChIKeyYTCMVMKVWHTCHD-UHFFFAOYSA-N
XLogP4.39
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.61
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2-bromophenyl)methoxy]-5-chloro-3-methoxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-3-methoxy-2-(methoxymethoxy)benzoic acid
CID 104665647
5-chloro-3-methoxy-2-(1,2-oxazol-5-ylmethoxy)benzoic acid
CID 104665658
5-chloro-3-methoxy-2-prop-2-ynoxybenzoic acid
CID 19693334
5-chloro-3-methoxy-2-(3-methylbutoxy)benzoic acid
CID 113438800
5-chloro-2-heptoxy-3-methoxybenzoic acid
CID 104665678
5-chloro-3-methoxy-2-(2-methylbutoxy)benzoic acid
CID 113438799
5-chloro-2-(2-ethoxy-2-oxoethoxy)-3-methoxybenzoic acid
CID 113438814
2-[(2-bromo-4-fluorophenyl)methoxy]-3,5-dichlorobenzoic acid
CID 43516140
5-chloro-3-methoxy-2-[(1-methylpyrazol-4-yl)methoxy]benzoic acid
CID 104665657
3-bromo-2-[(2-methylphenyl)methoxy]benzoic acid
CID 61391214
2-(2-bromophenyl)-1-(3-chloro-4,5-dimethoxyphenyl)ethanone
CID 60955784
5-chloro-2-(cyclobutylmethoxy)-3-methoxybenzoic acid
CID 113438811

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methoxy]-5-chloro-3-methoxybenzoic acid?
The IUPAC name of 2-[(2-bromophenyl)methoxy]-5-chloro-3-methoxybenzoic acid (CID 104665659) is 2-[(2-bromophenyl)methoxy]-5-chloro-3-methoxybenzoic acid.
What is the SMILES notation for 2-[(2-bromophenyl)methoxy]-5-chloro-3-methoxybenzoic acid?
The canonical SMILES for 2-[(2-bromophenyl)methoxy]-5-chloro-3-methoxybenzoic acid is COc1cc(Cl)cc(C(=O)O)c1OCc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methoxy]-5-chloro-3-methoxybenzoic acid?
The InChIKey is YTCMVMKVWHTCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClO4/c1-20-13-7-10(17)6-11(15(18)19)14(13)21-8-9-4-2-3-5-12(9)16/h2-7H,8H2,1H3,(H,18,19).
What are the key properties of 2-[(2-bromophenyl)methoxy]-5-chloro-3-methoxybenzoic acid?
2-[(2-bromophenyl)methoxy]-5-chloro-3-methoxybenzoic acid has a molecular weight of 371.61 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methoxy]-5-chloro-3-methoxybenzoic acid is sourced from PubChem (CID 104665659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).