2-bromo-4-naphthalen-2-yloxybenzoic acid

C17H11BrO3 — CID 107282443

IUPAC2-bromo-4-naphthalen-2-yloxybenzoic acid
SMILESO=C(O)c1ccc(Oc2ccc3ccccc3c2)cc1Br
InChIInChI=1S/C17H11BrO3/c18-16-10-14(7-8-15(16)17(19)20)21-13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H,19,20)
InChIKeyGJGAHOMRAUWTCA-UHFFFAOYSA-N
MW343.18 g/mol
LogP5.09
Rot. Bonds3

About 2-bromo-4-naphthalen-2-yloxybenzoic acid

2-bromo-4-naphthalen-2-yloxybenzoic acid (PubChem CID 107282443) has the molecular formula C17H11BrO3 and a molecular weight of 343.18 g/mol. Its IUPAC name is 2-bromo-4-naphthalen-2-yloxybenzoic acid.

Molecular Properties

Compound Name2-bromo-4-naphthalen-2-yloxybenzoic acid
PubChem CID107282443
Molecular FormulaC17H11BrO3
Molecular Weight343.18 g/mol
Exact Mass341.99
IUPAC Name2-bromo-4-naphthalen-2-yloxybenzoic acid
SMILESO=C(O)c1ccc(Oc2ccc3ccccc3c2)cc1Br
InChIInChI=1S/C17H11BrO3/c18-16-10-14(7-8-15(16)17(19)20)21-13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H,19,20)
InChIKeyGJGAHOMRAUWTCA-UHFFFAOYSA-N
XLogP5.09
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.18
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-bromo-4-naphthalen-2-yloxybenzoic 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

2-bromo-4-naphthalen-1-yloxybenzoic acid
CID 107282441
2-bromo-4-naphthalen-2-yloxybenzenecarbothioamide
CID 107278297
2-bromo-4-(2-methoxyphenoxy)benzoic acid
CID 107282440
2-bromo-4-(4-bromo-3-fluorophenoxy)benzoic acid
CID 107282562
2-bromo-4-(2-tert-butylphenoxy)benzoic acid
CID 107282419
3-naphthalen-2-yloxybenzoic acid
CID 10587676
2-naphthalen-2-yloxypyridine-3-carboxylic acid
CID 16784651
2-(3,5-dinaphthalen-2-yloxyphenoxy)naphthalene
CID 135017313
2-bromo-4-(2,4-dimethylphenoxy)benzoic acid
CID 107282422
2-bromo-4-(2,5-difluorophenoxy)benzoic acid
CID 107282547
2-bromo-4-(2-fluoro-5-methylphenoxy)benzoic acid
CID 107282560
2-bromo-4-(2-chloro-5-methylphenoxy)benzoic acid
CID 107282496

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-naphthalen-2-yloxybenzoic acid?
The IUPAC name of 2-bromo-4-naphthalen-2-yloxybenzoic acid (CID 107282443) is 2-bromo-4-naphthalen-2-yloxybenzoic acid.
What is the SMILES notation for 2-bromo-4-naphthalen-2-yloxybenzoic acid?
The canonical SMILES for 2-bromo-4-naphthalen-2-yloxybenzoic acid is O=C(O)c1ccc(Oc2ccc3ccccc3c2)cc1Br.
What is the InChIKey of 2-bromo-4-naphthalen-2-yloxybenzoic acid?
The InChIKey is GJGAHOMRAUWTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrO3/c18-16-10-14(7-8-15(16)17(19)20)21-13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H,19,20).
What are the key properties of 2-bromo-4-naphthalen-2-yloxybenzoic acid?
2-bromo-4-naphthalen-2-yloxybenzoic acid has a molecular weight of 343.18 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-naphthalen-2-yloxybenzoic acid is sourced from PubChem (CID 107282443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).