2-bromo-4-naphthalen-1-yloxybenzoic acid

C17H11BrO3 — CID 107282441

IUPAC2-bromo-4-naphthalen-1-yloxybenzoic acid
SMILESO=C(O)c1ccc(Oc2cccc3ccccc23)cc1Br
InChIInChI=1S/C17H11BrO3/c18-15-10-12(8-9-14(15)17(19)20)21-16-7-3-5-11-4-1-2-6-13(11)16/h1-10H,(H,19,20)
InChIKeyAHAKYOQCWRZMMG-UHFFFAOYSA-N
MW343.18 g/mol
LogP5.09
Rot. Bonds3

About 2-bromo-4-naphthalen-1-yloxybenzoic acid

2-bromo-4-naphthalen-1-yloxybenzoic acid (PubChem CID 107282441) has the molecular formula C17H11BrO3 and a molecular weight of 343.18 g/mol. Its IUPAC name is 2-bromo-4-naphthalen-1-yloxybenzoic acid.

Molecular Properties

Compound Name2-bromo-4-naphthalen-1-yloxybenzoic acid
PubChem CID107282441
Molecular FormulaC17H11BrO3
Molecular Weight343.18 g/mol
Exact Mass341.99
IUPAC Name2-bromo-4-naphthalen-1-yloxybenzoic acid
SMILESO=C(O)c1ccc(Oc2cccc3ccccc23)cc1Br
InChIInChI=1S/C17H11BrO3/c18-15-10-12(8-9-14(15)17(19)20)21-16-7-3-5-11-4-1-2-6-13(11)16/h1-10H,(H,19,20)
InChIKeyAHAKYOQCWRZMMG-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

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Related Compounds

4-naphthalen-1-yloxyphthalic acid
CID 174697498
2-bromo-4-(2-methoxyphenoxy)benzoic acid
CID 107282440
2-bromo-4-naphthalen-2-yloxybenzoic acid
CID 107282443
2-bromo-4-(2-tert-butylphenoxy)benzoic acid
CID 107282419
5-amino-2-naphthalen-1-yloxybenzoic acid
CID 60987249
2-bromo-4-naphthalen-1-yloxybenzonitrile
CID 107276928
2-bromo-4-(2,5-difluorophenoxy)benzoic acid
CID 107282547
2-[(4-naphthalen-1-yloxyphenyl)carbamoyl]benzoic acid
CID 1216754
2-bromo-4-(2-methyl-3-nitrophenoxy)benzoic acid
CID 107282523
2-bromo-4-(2,4-dimethylphenoxy)benzoic acid
CID 107282422
5-(6-carboxynaphthalen-2-yl)oxynaphthalene-1-carboxylic acid
CID 157171420
2-bromo-4-(4-bromo-3-fluorophenoxy)benzoic acid
CID 107282562

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-naphthalen-1-yloxybenzoic acid?
The IUPAC name of 2-bromo-4-naphthalen-1-yloxybenzoic acid (CID 107282441) is 2-bromo-4-naphthalen-1-yloxybenzoic acid.
What is the SMILES notation for 2-bromo-4-naphthalen-1-yloxybenzoic acid?
The canonical SMILES for 2-bromo-4-naphthalen-1-yloxybenzoic acid is O=C(O)c1ccc(Oc2cccc3ccccc23)cc1Br.
What is the InChIKey of 2-bromo-4-naphthalen-1-yloxybenzoic acid?
The InChIKey is AHAKYOQCWRZMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrO3/c18-15-10-12(8-9-14(15)17(19)20)21-16-7-3-5-11-4-1-2-6-13(11)16/h1-10H,(H,19,20).
What are the key properties of 2-bromo-4-naphthalen-1-yloxybenzoic acid?
2-bromo-4-naphthalen-1-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-1-yloxybenzoic acid is sourced from PubChem (CID 107282441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).