8-ethylnaphthalene-2-carboxylic acid

C13H12O2 — CID 151555828

IUPAC8-ethylnaphthalene-2-carboxylic acid
SMILESCCc1cccc2ccc(C(=O)O)cc12
InChIInChI=1S/C13H12O2/c1-2-9-4-3-5-10-6-7-11(13(14)15)8-12(9)10/h3-8H,2H2,1H3,(H,14,15)
InChIKeyQBLHUEYMGDXWMQ-UHFFFAOYSA-N
MW200.24 g/mol
LogP3.10
Rot. Bonds2

About 8-ethylnaphthalene-2-carboxylic acid

8-ethylnaphthalene-2-carboxylic acid (PubChem CID 151555828) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 8-ethylnaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name8-ethylnaphthalene-2-carboxylic acid
PubChem CID151555828
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name8-ethylnaphthalene-2-carboxylic acid
SMILESCCc1cccc2ccc(C(=O)O)cc12
InChIInChI=1S/C13H12O2/c1-2-9-4-3-5-10-6-7-11(13(14)15)8-12(9)10/h3-8H,2H2,1H3,(H,14,15)
InChIKeyQBLHUEYMGDXWMQ-UHFFFAOYSA-N
XLogP3.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[5-(8-ethylnaphthalen-2-yl)-1H-pyrrol-2-yl]benzoic acid
CID 15487485
8-methylsulfinylnaphthalene-2-carboxylic acid
CID 126707128
8-[(4-carboxy-2-methoxyphenyl)methyl]naphthalene-2-carboxylic acid
CID 67896407
8-aminonaphthalene-2-carboxylic acid
CID 13440887
ethane;naphthalene-2-carboxylic acid;propane
CID 143443534
1-ethyl-7-methylnaphthalene
CID 12778771
4-[(7-carbamoylnaphthalen-1-yl)methyl]-3-methoxybenzoic acid
CID 19906374
8-(2-hydroxyphenyl)naphthalene-2-carboxylic acid
CID 58553658
ethane;1-ethyl-7-methylnaphthalene
CID 91014752
1-ethyl-7-fluoronaphthalene
CID 166534047
3-ethyl-2-oxo-1H-quinoline-7-carboxylic acid
CID 59474824
naphthalene-2-carboxylic acid
CID 175967775

Frequently Asked Questions

What is the IUPAC name of 8-ethylnaphthalene-2-carboxylic acid?
The IUPAC name of 8-ethylnaphthalene-2-carboxylic acid (CID 151555828) is 8-ethylnaphthalene-2-carboxylic acid.
What is the SMILES notation for 8-ethylnaphthalene-2-carboxylic acid?
The canonical SMILES for 8-ethylnaphthalene-2-carboxylic acid is CCc1cccc2ccc(C(=O)O)cc12.
What is the InChIKey of 8-ethylnaphthalene-2-carboxylic acid?
The InChIKey is QBLHUEYMGDXWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2/c1-2-9-4-3-5-10-6-7-11(13(14)15)8-12(9)10/h3-8H,2H2,1H3,(H,14,15).
What are the key properties of 8-ethylnaphthalene-2-carboxylic acid?
8-ethylnaphthalene-2-carboxylic acid has a molecular weight of 200.24 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethylnaphthalene-2-carboxylic acid is sourced from PubChem (CID 151555828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).