4-methoxybenzoic acid;hydrobromide

C8H9BrO3 — CID 172731707

IUPAC4-methoxybenzoic acid;hydrobromide
SMILESBr.COc1ccc(C(=O)O)cc1
InChIInChI=1S/C8H8O3.BrH/c1-11-7-4-2-6(3-5-7)8(9)10;/h2-5H,1H3,(H,9,10);1H
InChIKeyHWQJVABXRDPHMB-UHFFFAOYSA-N
MW233.06 g/mol
LogP1.97
Rot. Bonds2

About 4-methoxybenzoic acid;hydrobromide

4-methoxybenzoic acid;hydrobromide (PubChem CID 172731707) has the molecular formula C8H9BrO3 and a molecular weight of 233.06 g/mol. Its IUPAC name is 4-methoxybenzoic acid;hydrobromide.

Molecular Properties

Compound Name4-methoxybenzoic acid;hydrobromide
PubChem CID172731707
Molecular FormulaC8H9BrO3
Molecular Weight233.06 g/mol
Exact Mass231.97
IUPAC Name4-methoxybenzoic acid;hydrobromide
SMILESBr.COc1ccc(C(=O)O)cc1
InChIInChI=1S/C8H8O3.BrH/c1-11-7-4-2-6(3-5-7)8(9)10;/h2-5H,1H3,(H,9,10);1H
InChIKeyHWQJVABXRDPHMB-UHFFFAOYSA-N
XLogP1.97
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.06
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methoxybenzoic acid;hydrobromide 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

4-methoxybenzoic acid;silver
CID 140722019
dipotassium;hydride;bis(4-methoxybenzoic acid)
CID 174966715
4-methoxybenzoic acid;1-methoxy-4-methylbenzene
CID 18916324
1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;terephthalic acid
CID 22421309
CID 16732361
CID 16732361
4-methoxybenzoic acid;pyridine
CID 174860408
4-[3-(4-methoxyphenyl)propyl]benzoic acid
CID 102282707
ethenyl acetate;4-methoxybenzoic acid
CID 174932514
4-(6-methoxynaphthalene-2-carbonyl)benzoic acid
CID 70129561
ethyl acetate;4-methoxybenzoic acid
CID 158342660
(2S,3S)-2,3-dihydroxy-2,3-bis(4-methoxybenzoyl)butanedioic acid
CID 66875563
4-[[amino-(4-methoxyphenyl)methylidene]amino]benzoic acid
CID 142079900

Frequently Asked Questions

What is the IUPAC name of 4-methoxybenzoic acid;hydrobromide?
The IUPAC name of 4-methoxybenzoic acid;hydrobromide (CID 172731707) is 4-methoxybenzoic acid;hydrobromide.
What is the SMILES notation for 4-methoxybenzoic acid;hydrobromide?
The canonical SMILES for 4-methoxybenzoic acid;hydrobromide is Br.COc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-methoxybenzoic acid;hydrobromide?
The InChIKey is HWQJVABXRDPHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3.BrH/c1-11-7-4-2-6(3-5-7)8(9)10;/h2-5H,1H3,(H,9,10);1H.
What are the key properties of 4-methoxybenzoic acid;hydrobromide?
4-methoxybenzoic acid;hydrobromide has a molecular weight of 233.06 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxybenzoic acid;hydrobromide is sourced from PubChem (CID 172731707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).