3-(6-bromonaphthalen-2-yl)oxybenzoic acid

C17H11BrO3 — CID 63941501

IUPAC3-(6-bromonaphthalen-2-yl)oxybenzoic acid
SMILESO=C(O)c1cccc(Oc2ccc3cc(Br)ccc3c2)c1
InChIInChI=1S/C17H11BrO3/c18-14-6-4-12-9-16(7-5-11(12)8-14)21-15-3-1-2-13(10-15)17(19)20/h1-10H,(H,19,20)
InChIKeyHKAYHLTVPLPVPJ-UHFFFAOYSA-N
MW343.18 g/mol
LogP5.09
Rot. Bonds3

About 3-(6-bromonaphthalen-2-yl)oxybenzoic acid

3-(6-bromonaphthalen-2-yl)oxybenzoic acid (PubChem CID 63941501) has the molecular formula C17H11BrO3 and a molecular weight of 343.18 g/mol. Its IUPAC name is 3-(6-bromonaphthalen-2-yl)oxybenzoic acid.

Molecular Properties

Compound Name3-(6-bromonaphthalen-2-yl)oxybenzoic acid
PubChem CID63941501
Molecular FormulaC17H11BrO3
Molecular Weight343.18 g/mol
Exact Mass341.99
IUPAC Name3-(6-bromonaphthalen-2-yl)oxybenzoic acid
SMILESO=C(O)c1cccc(Oc2ccc3cc(Br)ccc3c2)c1
InChIInChI=1S/C17H11BrO3/c18-14-6-4-12-9-16(7-5-11(12)8-14)21-15-3-1-2-13(10-15)17(19)20/h1-10H,(H,19,20)
InChIKeyHKAYHLTVPLPVPJ-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 3-(6-bromonaphthalen-2-yl)oxybenzoic 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-naphthalen-2-yloxybenzoic acid
CID 10587676
3-(3-bromo-5-fluorophenoxy)benzoic acid
CID 81332139
(4-bromophenyl) 3-phenoxybenzoate
CID 7900834
3-(5-bromo-2-nitrophenoxy)benzoic acid
CID 65343030
[3-(3-bromophenoxy)phenyl]-(3-bromophenyl)methanone
CID 22494542
3-(1-bromonaphthalen-2-yl)oxybenzoic acid
CID 63944048
3-(4-bromophenoxy)-N-methylbenzamide
CID 169337021
3-bromo-5-(4-bromophenoxy)benzoic acid
CID 102823551
bis[4-(3-bromophenoxy)phenyl]methanone
CID 22494465
3-bromo-5-phenoxybenzoic acid
CID 102823557
3-bromobenzoic acid;ethane
CID 143530590
3-(3-fluoro-4-nitrophenoxy)benzoic acid
CID 63941299

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromonaphthalen-2-yl)oxybenzoic acid?
The IUPAC name of 3-(6-bromonaphthalen-2-yl)oxybenzoic acid (CID 63941501) is 3-(6-bromonaphthalen-2-yl)oxybenzoic acid.
What is the SMILES notation for 3-(6-bromonaphthalen-2-yl)oxybenzoic acid?
The canonical SMILES for 3-(6-bromonaphthalen-2-yl)oxybenzoic acid is O=C(O)c1cccc(Oc2ccc3cc(Br)ccc3c2)c1.
What is the InChIKey of 3-(6-bromonaphthalen-2-yl)oxybenzoic acid?
The InChIKey is HKAYHLTVPLPVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrO3/c18-14-6-4-12-9-16(7-5-11(12)8-14)21-15-3-1-2-13(10-15)17(19)20/h1-10H,(H,19,20).
What are the key properties of 3-(6-bromonaphthalen-2-yl)oxybenzoic acid?
3-(6-bromonaphthalen-2-yl)oxybenzoic 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 3-(6-bromonaphthalen-2-yl)oxybenzoic acid is sourced from PubChem (CID 63941501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).