4-ethyl-3-hydroxynaphthalene-2-carboxylic acid

C13H12O3 — CID 141486602

IUPAC4-ethyl-3-hydroxynaphthalene-2-carboxylic acid
SMILESCCc1c(O)c(C(=O)O)cc2ccccc12
InChIInChI=1S/C13H12O3/c1-2-9-10-6-4-3-5-8(10)7-11(12(9)14)13(15)16/h3-7,14H,2H2,1H3,(H,15,16)
InChIKeyOBAQYOCMTMYRDG-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.81
Rot. Bonds2

About 4-ethyl-3-hydroxynaphthalene-2-carboxylic acid

4-ethyl-3-hydroxynaphthalene-2-carboxylic acid (PubChem CID 141486602) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-ethyl-3-hydroxynaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-3-hydroxynaphthalene-2-carboxylic acid
PubChem CID141486602
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name4-ethyl-3-hydroxynaphthalene-2-carboxylic acid
SMILESCCc1c(O)c(C(=O)O)cc2ccccc12
InChIInChI=1S/C13H12O3/c1-2-9-10-6-4-3-5-8(10)7-11(12(9)14)13(15)16/h3-7,14H,2H2,1H3,(H,15,16)
InChIKeyOBAQYOCMTMYRDG-UHFFFAOYSA-N
XLogP2.81
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;propan-2-one
CID 69422292
4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;oxalic acid
CID 69083270
4-benzyl-3-hydroxynaphthalene-2-carboxylic acid
CID 22237045
4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;2-hydroxybenzoic acid
CID 68631677
bis(4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid);tetrakis(N,N-dimethylformamide)
CID 139194967
1-ethylnaphthalene-2-carboxylic acid
CID 22762218
4-[[3-(butylcarbamoyl)-2-hydroxynaphthalen-1-yl]methyl]-3-hydroxynaphthalene-2-carboxylic acid
CID 102510581
dizinc;4-(3-carboxy-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylic acid
CID 161380259
4-[[3-carboxy-2-(2-carboxybenzoyl)oxynaphthalen-1-yl]methyl]-3-hydroxynaphthalene-2-carboxylic acid
CID 54281943
4-hydroxy-3-methylnaphthalene-2-carboxylic acid
CID 58932971
4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol
CID 68984156
4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;2-(methylamino)-1-phenylpropan-1-ol
CID 68984061

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-hydroxynaphthalene-2-carboxylic acid?
The IUPAC name of 4-ethyl-3-hydroxynaphthalene-2-carboxylic acid (CID 141486602) is 4-ethyl-3-hydroxynaphthalene-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-3-hydroxynaphthalene-2-carboxylic acid?
The canonical SMILES for 4-ethyl-3-hydroxynaphthalene-2-carboxylic acid is CCc1c(O)c(C(=O)O)cc2ccccc12.
What is the InChIKey of 4-ethyl-3-hydroxynaphthalene-2-carboxylic acid?
The InChIKey is OBAQYOCMTMYRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-2-9-10-6-4-3-5-8(10)7-11(12(9)14)13(15)16/h3-7,14H,2H2,1H3,(H,15,16).
What are the key properties of 4-ethyl-3-hydroxynaphthalene-2-carboxylic acid?
4-ethyl-3-hydroxynaphthalene-2-carboxylic acid has a molecular weight of 216.24 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-hydroxynaphthalene-2-carboxylic acid is sourced from PubChem (CID 141486602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).