bromobenzene;3-ethoxybenzoic acid

C15H15BrO3 — CID 174626248

IUPACbromobenzene;3-ethoxybenzoic acid
SMILESBrc1ccccc1.CCOc1cccc(C(=O)O)c1
InChIInChI=1S/C9H10O3.C6H5Br/c1-2-12-8-5-3-4-7(6-8)9(10)11;7-6-4-2-1-3-5-6/h3-6H,2H2,1H3,(H,10,11);1-5H
InChIKeyCIIPTGVDKQBJTG-UHFFFAOYSA-N
MW323.19 g/mol
LogP4.23
Rot. Bonds3

About bromobenzene;3-ethoxybenzoic acid

bromobenzene;3-ethoxybenzoic acid (PubChem CID 174626248) has the molecular formula C15H15BrO3 and a molecular weight of 323.19 g/mol. Its IUPAC name is bromobenzene;3-ethoxybenzoic acid.

Molecular Properties

Compound Namebromobenzene;3-ethoxybenzoic acid
PubChem CID174626248
Molecular FormulaC15H15BrO3
Molecular Weight323.19 g/mol
Exact Mass322.02
IUPAC Namebromobenzene;3-ethoxybenzoic acid
SMILESBrc1ccccc1.CCOc1cccc(C(=O)O)c1
InChIInChI=1S/C9H10O3.C6H5Br/c1-2-12-8-5-3-4-7(6-8)9(10)11;7-6-4-2-1-3-5-6/h3-6H,2H2,1H3,(H,10,11);1-5H
InChIKeyCIIPTGVDKQBJTG-UHFFFAOYSA-N
XLogP4.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze bromobenzene;3-ethoxybenzoic 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-[2-(4-bromo-2-ethoxyphenoxy)ethoxy]benzoic acid
CID 20992717
3,5-bis[(3-ethoxybenzoyl)amino]benzoic acid
CID 1364896
3-[2-(3-ethoxyphenyl)sulfanylethoxy]benzoic acid
CID 20994278
3-bromobenzoic acid;ethane
CID 143530590
3-[[4-[(3-ethoxyanilino)methyl]phenyl]methylamino]benzoic acid
CID 166909603
3-(5-bromo-2-ethoxybenzoyl)oxybenzoic acid
CID 54855265
1-(4-bromophenyl)-2-(3-ethoxyphenoxy)ethanone
CID 62337475
1-bromo-3-ethoxybenzene;ethane
CID 143900364
methyl 3-ethoxybenzoate
CID 3267781
[4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone
CID 4958094
3-[2-(dimethylamino)-2-oxoethoxy]benzoic acid
CID 16769869
(3-bromophenyl)-(4-ethoxyphenyl)methanone
CID 24723180

Frequently Asked Questions

What is the IUPAC name of bromobenzene;3-ethoxybenzoic acid?
The IUPAC name of bromobenzene;3-ethoxybenzoic acid (CID 174626248) is bromobenzene;3-ethoxybenzoic acid.
What is the SMILES notation for bromobenzene;3-ethoxybenzoic acid?
The canonical SMILES for bromobenzene;3-ethoxybenzoic acid is Brc1ccccc1.CCOc1cccc(C(=O)O)c1.
What is the InChIKey of bromobenzene;3-ethoxybenzoic acid?
The InChIKey is CIIPTGVDKQBJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3.C6H5Br/c1-2-12-8-5-3-4-7(6-8)9(10)11;7-6-4-2-1-3-5-6/h3-6H,2H2,1H3,(H,10,11);1-5H.
What are the key properties of bromobenzene;3-ethoxybenzoic acid?
bromobenzene;3-ethoxybenzoic acid has a molecular weight of 323.19 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromobenzene;3-ethoxybenzoic acid is sourced from PubChem (CID 174626248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).