3-(4-bromo-1-hydroxynaphthalen-2-yl)propanoic acid

C13H11BrO3 — CID 53230524

IUPAC3-(4-bromo-1-hydroxynaphthalen-2-yl)propanoic acid
SMILESO=C(O)CCc1cc(Br)c2ccccc2c1O
InChIInChI=1S/C13H11BrO3/c14-11-7-8(5-6-12(15)16)13(17)10-4-2-1-3-9(10)11/h1-4,7,17H,5-6H2,(H,15,16)
InChIKeyYYWACJGQHHDLHA-UHFFFAOYSA-N
MW295.13 g/mol
LogP3.33
Rot. Bonds3

About 3-(4-bromo-1-hydroxynaphthalen-2-yl)propanoic acid

3-(4-bromo-1-hydroxynaphthalen-2-yl)propanoic acid (PubChem CID 53230524) has the molecular formula C13H11BrO3 and a molecular weight of 295.13 g/mol. Its IUPAC name is 3-(4-bromo-1-hydroxynaphthalen-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-bromo-1-hydroxynaphthalen-2-yl)propanoic acid
PubChem CID53230524
Molecular FormulaC13H11BrO3
Molecular Weight295.13 g/mol
Exact Mass293.99
IUPAC Name3-(4-bromo-1-hydroxynaphthalen-2-yl)propanoic acid
SMILESO=C(O)CCc1cc(Br)c2ccccc2c1O
InChIInChI=1S/C13H11BrO3/c14-11-7-8(5-6-12(15)16)13(17)10-4-2-1-3-9(10)11/h1-4,7,17H,5-6H2,(H,15,16)
InChIKeyYYWACJGQHHDLHA-UHFFFAOYSA-N
XLogP3.33
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.13
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(4-bromo-1-hydroxynaphthalen-2-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-1-hydroxynaphthalen-2-yl)propanoic acid?
The IUPAC name of 3-(4-bromo-1-hydroxynaphthalen-2-yl)propanoic acid (CID 53230524) is 3-(4-bromo-1-hydroxynaphthalen-2-yl)propanoic acid.
What is the SMILES notation for 3-(4-bromo-1-hydroxynaphthalen-2-yl)propanoic acid?
The canonical SMILES for 3-(4-bromo-1-hydroxynaphthalen-2-yl)propanoic acid is O=C(O)CCc1cc(Br)c2ccccc2c1O.
What is the InChIKey of 3-(4-bromo-1-hydroxynaphthalen-2-yl)propanoic acid?
The InChIKey is YYWACJGQHHDLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrO3/c14-11-7-8(5-6-12(15)16)13(17)10-4-2-1-3-9(10)11/h1-4,7,17H,5-6H2,(H,15,16).
What are the key properties of 3-(4-bromo-1-hydroxynaphthalen-2-yl)propanoic acid?
3-(4-bromo-1-hydroxynaphthalen-2-yl)propanoic acid has a molecular weight of 295.13 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-1-hydroxynaphthalen-2-yl)propanoic acid is sourced from PubChem (CID 53230524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).