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

C13H12O3 — CID 9149737

IUPAC3-(2-hydroxynaphthalen-1-yl)propanoic acid
SMILESO=C(O)CCc1c(O)ccc2ccccc12
InChIInChI=1S/C13H12O3/c14-12-7-5-9-3-1-2-4-10(9)11(12)6-8-13(15)16/h1-5,7,14H,6,8H2,(H,15,16)
InChIKeyIAXRTDFEUBNMRV-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.56
Rot. Bonds3

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

3-(2-hydroxynaphthalen-1-yl)propanoic acid (PubChem CID 9149737) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-(2-hydroxynaphthalen-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-hydroxynaphthalen-1-yl)propanoic acid
PubChem CID9149737
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name3-(2-hydroxynaphthalen-1-yl)propanoic acid
SMILESO=C(O)CCc1c(O)ccc2ccccc12
InChIInChI=1S/C13H12O3/c14-12-7-5-9-3-1-2-4-10(9)11(12)6-8-13(15)16/h1-5,7,14H,6,8H2,(H,15,16)
InChIKeyIAXRTDFEUBNMRV-UHFFFAOYSA-N
XLogP2.56
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxynaphthalen-1-yl)propanoic acid?
The IUPAC name of 3-(2-hydroxynaphthalen-1-yl)propanoic acid (CID 9149737) is 3-(2-hydroxynaphthalen-1-yl)propanoic acid.
What is the SMILES notation for 3-(2-hydroxynaphthalen-1-yl)propanoic acid?
The canonical SMILES for 3-(2-hydroxynaphthalen-1-yl)propanoic acid is O=C(O)CCc1c(O)ccc2ccccc12.
What is the InChIKey of 3-(2-hydroxynaphthalen-1-yl)propanoic acid?
The InChIKey is IAXRTDFEUBNMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c14-12-7-5-9-3-1-2-4-10(9)11(12)6-8-13(15)16/h1-5,7,14H,6,8H2,(H,15,16).
What are the key properties of 3-(2-hydroxynaphthalen-1-yl)propanoic acid?
3-(2-hydroxynaphthalen-1-yl)propanoic acid has a molecular weight of 216.24 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxynaphthalen-1-yl)propanoic acid is sourced from PubChem (CID 9149737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).