4-[(3-bromo-4-methoxyphenyl)methoxy]-3-methoxybenzoic acid

C16H15BrO5 — CID 45397817

IUPAC4-[(3-bromo-4-methoxyphenyl)methoxy]-3-methoxybenzoic acid
SMILESCOc1ccc(COc2ccc(C(=O)O)cc2OC)cc1Br
InChIInChI=1S/C16H15BrO5/c1-20-13-5-3-10(7-12(13)17)9-22-14-6-4-11(16(18)19)8-15(14)21-2/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyJRAHNORYUWPTRB-UHFFFAOYSA-N
MW367.20 g/mol
LogP3.74
Rot. Bonds6

About 4-[(3-bromo-4-methoxyphenyl)methoxy]-3-methoxybenzoic acid

4-[(3-bromo-4-methoxyphenyl)methoxy]-3-methoxybenzoic acid (PubChem CID 45397817) has the molecular formula C16H15BrO5 and a molecular weight of 367.20 g/mol. Its IUPAC name is 4-[(3-bromo-4-methoxyphenyl)methoxy]-3-methoxybenzoic acid.

Molecular Properties

Compound Name4-[(3-bromo-4-methoxyphenyl)methoxy]-3-methoxybenzoic acid
PubChem CID45397817
Molecular FormulaC16H15BrO5
Molecular Weight367.20 g/mol
Exact Mass366.01
IUPAC Name4-[(3-bromo-4-methoxyphenyl)methoxy]-3-methoxybenzoic acid
SMILESCOc1ccc(COc2ccc(C(=O)O)cc2OC)cc1Br
InChIInChI=1S/C16H15BrO5/c1-20-13-5-3-10(7-12(13)17)9-22-14-6-4-11(16(18)19)8-15(14)21-2/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyJRAHNORYUWPTRB-UHFFFAOYSA-N
XLogP3.74
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.20
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(3-bromo-4-methoxyphenyl)methoxy]-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

3-[(3-bromo-4-methoxyphenyl)methoxy]benzoic acid
CID 45286749
2-[(3-bromo-4-methoxyphenyl)methoxy]-5-fluorobenzoic acid
CID 115297973
3-[(3-bromo-4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid
CID 63336501
4-[(4-ethyl-2-methoxyphenoxy)methyl]benzoic acid
CID 104637822
3-bromo-4-[(4-methylphenyl)methoxy]benzoic acid
CID 8706873
methyl 4-[(3-bromo-4-methoxyphenyl)methoxy]benzoate
CID 60673471
3-[(3-bromo-4-methoxyphenyl)methoxy]-6-methylpyridine-2-carboxylic acid
CID 79156646
2-[(3-bromo-4-methoxyphenyl)methoxy]-4-chlorobenzoic acid
CID 45286799
3-bromo-4-(3-bromo-4-methoxybenzoyl)oxybenzoic acid
CID 54854455
4-[(4-bromophenyl)methoxy]-3-methoxybenzoate
CID 8706948
4-[5-(4-carboxy-2-methoxyphenoxy)pentoxy]-3-methoxybenzoic acid
CID 15329160
4-[3-(4-carboxy-2-methoxyphenoxy)propoxy]-3-methoxybenzoic acid
CID 11132553

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-4-methoxyphenyl)methoxy]-3-methoxybenzoic acid?
The IUPAC name of 4-[(3-bromo-4-methoxyphenyl)methoxy]-3-methoxybenzoic acid (CID 45397817) is 4-[(3-bromo-4-methoxyphenyl)methoxy]-3-methoxybenzoic acid.
What is the SMILES notation for 4-[(3-bromo-4-methoxyphenyl)methoxy]-3-methoxybenzoic acid?
The canonical SMILES for 4-[(3-bromo-4-methoxyphenyl)methoxy]-3-methoxybenzoic acid is COc1ccc(COc2ccc(C(=O)O)cc2OC)cc1Br.
What is the InChIKey of 4-[(3-bromo-4-methoxyphenyl)methoxy]-3-methoxybenzoic acid?
The InChIKey is JRAHNORYUWPTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO5/c1-20-13-5-3-10(7-12(13)17)9-22-14-6-4-11(16(18)19)8-15(14)21-2/h3-8H,9H2,1-2H3,(H,18,19).
What are the key properties of 4-[(3-bromo-4-methoxyphenyl)methoxy]-3-methoxybenzoic acid?
4-[(3-bromo-4-methoxyphenyl)methoxy]-3-methoxybenzoic acid has a molecular weight of 367.20 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromo-4-methoxyphenyl)methoxy]-3-methoxybenzoic acid is sourced from PubChem (CID 45397817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).