2-(2,7-dihydroxynaphthalen-1-yl)propanoic acid

C13H12O4 — CID 117335936

IUPAC2-(2,7-dihydroxynaphthalen-1-yl)propanoic acid
SMILESCC(C(=O)O)c1c(O)ccc2ccc(O)cc12
InChIInChI=1S/C13H12O4/c1-7(13(16)17)12-10-6-9(14)4-2-8(10)3-5-11(12)15/h2-7,14-15H,1H3,(H,16,17)
InChIKeyKXGPOTFFMCRNAH-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.44
Rot. Bonds2

About 2-(2,7-dihydroxynaphthalen-1-yl)propanoic acid

2-(2,7-dihydroxynaphthalen-1-yl)propanoic acid (PubChem CID 117335936) has the molecular formula C13H12O4 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-(2,7-dihydroxynaphthalen-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(2,7-dihydroxynaphthalen-1-yl)propanoic acid
PubChem CID117335936
Molecular FormulaC13H12O4
Molecular Weight232.24 g/mol
Exact Mass232.07
IUPAC Name2-(2,7-dihydroxynaphthalen-1-yl)propanoic acid
SMILESCC(C(=O)O)c1c(O)ccc2ccc(O)cc12
InChIInChI=1S/C13H12O4/c1-7(13(16)17)12-10-6-9(14)4-2-8(10)3-5-11(12)15/h2-7,14-15H,1H3,(H,16,17)
InChIKeyKXGPOTFFMCRNAH-UHFFFAOYSA-N
XLogP2.44
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(7-hydroxynaphthalen-1-yl)propanoic acid
CID 124560296
3-(2,7-dihydroxynaphthalen-1-yl)-2-methylpropanoic acid
CID 117367475
N-[(S)-(2,7-dihydroxynaphthalen-1-yl)-(4-propan-2-ylphenyl)methyl]acetamide
CID 802179
7-amino-8-propan-2-ylnaphthalen-2-ol
CID 115057677
1-[(2,7-dihydroxynaphthalen-1-yl)-(4-phenylphenyl)methyl]naphthalene-2,7-diol
CID 90379061
N-[(R)-(4-chlorophenyl)-(2,7-dihydroxynaphthalen-1-yl)methyl]acetamide
CID 801283
1-(2,7-dihydroxynaphthalen-1-yl)naphthalene-2,7-diol
CID 11415880
1-[(2,7-dihydroxynaphthalen-1-yl)-(4-propylphenyl)methyl]naphthalene-2,7-diol
CID 169279879
2-(6-fluoro-2,3-dihydroxyphenyl)propanoic acid
CID 117289034
2-(2-chloro-6-hydroxyphenyl)propanoic acid
CID 84733802
2-(3,4-dihydroxyphenyl)propanoic acid
CID 20848968
3-(6-hydroxynaphthalen-2-yl)-2-methylpropanoic acid
CID 174589043

Frequently Asked Questions

What is the IUPAC name of 2-(2,7-dihydroxynaphthalen-1-yl)propanoic acid?
The IUPAC name of 2-(2,7-dihydroxynaphthalen-1-yl)propanoic acid (CID 117335936) is 2-(2,7-dihydroxynaphthalen-1-yl)propanoic acid.
What is the SMILES notation for 2-(2,7-dihydroxynaphthalen-1-yl)propanoic acid?
The canonical SMILES for 2-(2,7-dihydroxynaphthalen-1-yl)propanoic acid is CC(C(=O)O)c1c(O)ccc2ccc(O)cc12.
What is the InChIKey of 2-(2,7-dihydroxynaphthalen-1-yl)propanoic acid?
The InChIKey is KXGPOTFFMCRNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O4/c1-7(13(16)17)12-10-6-9(14)4-2-8(10)3-5-11(12)15/h2-7,14-15H,1H3,(H,16,17).
What are the key properties of 2-(2,7-dihydroxynaphthalen-1-yl)propanoic acid?
2-(2,7-dihydroxynaphthalen-1-yl)propanoic acid has a molecular weight of 232.24 g/mol, XLogP of 2.44, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,7-dihydroxynaphthalen-1-yl)propanoic acid is sourced from PubChem (CID 117335936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).