3-(3-bromophenyl)-4-methoxybenzoic acid

C14H11BrO3 — CID 115503797

IUPAC3-(3-bromophenyl)-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1-c1cccc(Br)c1
InChIInChI=1S/C14H11BrO3/c1-18-13-6-5-10(14(16)17)8-12(13)9-3-2-4-11(15)7-9/h2-8H,1H3,(H,16,17)
InChIKeyFGOBSIRNCKUKBN-UHFFFAOYSA-N
MW307.14 g/mol
LogP3.82
Rot. Bonds3

About 3-(3-bromophenyl)-4-methoxybenzoic acid

3-(3-bromophenyl)-4-methoxybenzoic acid (PubChem CID 115503797) has the molecular formula C14H11BrO3 and a molecular weight of 307.14 g/mol. Its IUPAC name is 3-(3-bromophenyl)-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-(3-bromophenyl)-4-methoxybenzoic acid
PubChem CID115503797
Molecular FormulaC14H11BrO3
Molecular Weight307.14 g/mol
Exact Mass305.99
IUPAC Name3-(3-bromophenyl)-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1-c1cccc(Br)c1
InChIInChI=1S/C14H11BrO3/c1-18-13-6-5-10(14(16)17)8-12(13)9-3-2-4-11(15)7-9/h2-8H,1H3,(H,16,17)
InChIKeyFGOBSIRNCKUKBN-UHFFFAOYSA-N
XLogP3.82
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-hydroxyphenyl)-4-methoxybenzoic acid
CID 115045204
3-(3-fluorophenyl)-4-methoxybenzoic acid
CID 39349091
3-[3-[(dimethylamino)methyl]phenyl]-4-methoxybenzoic acid
CID 82039455
3-(2-methoxyphenyl)benzoic acid
CID 2759547
4-(3-bromophenyl)-3-(difluoromethoxy)benzoic acid
CID 165470470
methyl 4-methoxy-3-phenylbenzoate
CID 11010121
3-(furan-3-yl)-4-methoxybenzoic acid
CID 63948323
1-[3-(3-fluorophenyl)-4-methoxyphenyl]ethanone
CID 82541241
4-methoxy-3-(3-methoxyphenyl)benzamide
CID 123866555
3-(1,3-benzodioxol-5-yl)-4-methoxybenzoic acid
CID 82039175
2-(3-bromophenyl)-3-methoxynaphthalene
CID 142353685
4-methoxy-N,N-dimethyl-3-phenylbenzamide
CID 49375903

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-4-methoxybenzoic acid?
The IUPAC name of 3-(3-bromophenyl)-4-methoxybenzoic acid (CID 115503797) is 3-(3-bromophenyl)-4-methoxybenzoic acid.
What is the SMILES notation for 3-(3-bromophenyl)-4-methoxybenzoic acid?
The canonical SMILES for 3-(3-bromophenyl)-4-methoxybenzoic acid is COc1ccc(C(=O)O)cc1-c1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenyl)-4-methoxybenzoic acid?
The InChIKey is FGOBSIRNCKUKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrO3/c1-18-13-6-5-10(14(16)17)8-12(13)9-3-2-4-11(15)7-9/h2-8H,1H3,(H,16,17).
What are the key properties of 3-(3-bromophenyl)-4-methoxybenzoic acid?
3-(3-bromophenyl)-4-methoxybenzoic acid has a molecular weight of 307.14 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-4-methoxybenzoic acid is sourced from PubChem (CID 115503797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).