6-methoxy-8-methylnaphthalene-2-carboxylic acid

C13H12O3 — CID 91342248

IUPAC6-methoxy-8-methylnaphthalene-2-carboxylic acid
SMILESCOc1cc(C)c2cc(C(=O)O)ccc2c1
InChIInChI=1S/C13H12O3/c1-8-5-11(16-2)6-9-3-4-10(13(14)15)7-12(8)9/h3-7H,1-2H3,(H,14,15)
InChIKeyXQQDBEVQUSPKLY-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.86
Rot. Bonds2

About 6-methoxy-8-methylnaphthalene-2-carboxylic acid

6-methoxy-8-methylnaphthalene-2-carboxylic acid (PubChem CID 91342248) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 6-methoxy-8-methylnaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-8-methylnaphthalene-2-carboxylic acid
PubChem CID91342248
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name6-methoxy-8-methylnaphthalene-2-carboxylic acid
SMILESCOc1cc(C)c2cc(C(=O)O)ccc2c1
InChIInChI=1S/C13H12O3/c1-8-5-11(16-2)6-9-3-4-10(13(14)15)7-12(8)9/h3-7H,1-2H3,(H,14,15)
InChIKeyXQQDBEVQUSPKLY-UHFFFAOYSA-N
XLogP2.86
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(6-methoxynaphthalene-2-carbonyl)benzoic acid
CID 70129561
acetic acid;1,3-dimethoxyisoquinoline-7-carboxylic acid
CID 174490545
4-methoxybenzoic acid;silver
CID 140722019
4-methoxybenzoic acid;hydrobromide
CID 172731707
magnesium;hydride;naphthalene-2,6-dicarboxylic acid
CID 173052863
3-(4-methoxy-2-methylphenyl)-4-methylbenzoic acid
CID 81476317
4-methoxybenzoic acid;1-methoxy-4-methylbenzene
CID 18916324
dipotassium;hydride;bis(4-methoxybenzoic acid)
CID 174966715
3-(2,6-difluoro-4-methoxyphenyl)-4-methylbenzoic acid
CID 81475981
4-hydroxy-6-methoxynaphthalene-2-carboxylic acid
CID 19868719
naphthalene-2,6-dicarboxylic acid;thorium
CID 175461115
CID 67200510
CID 67200510

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-8-methylnaphthalene-2-carboxylic acid?
The IUPAC name of 6-methoxy-8-methylnaphthalene-2-carboxylic acid (CID 91342248) is 6-methoxy-8-methylnaphthalene-2-carboxylic acid.
What is the SMILES notation for 6-methoxy-8-methylnaphthalene-2-carboxylic acid?
The canonical SMILES for 6-methoxy-8-methylnaphthalene-2-carboxylic acid is COc1cc(C)c2cc(C(=O)O)ccc2c1.
What is the InChIKey of 6-methoxy-8-methylnaphthalene-2-carboxylic acid?
The InChIKey is XQQDBEVQUSPKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-8-5-11(16-2)6-9-3-4-10(13(14)15)7-12(8)9/h3-7H,1-2H3,(H,14,15).
What are the key properties of 6-methoxy-8-methylnaphthalene-2-carboxylic acid?
6-methoxy-8-methylnaphthalene-2-carboxylic acid has a molecular weight of 216.24 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-8-methylnaphthalene-2-carboxylic acid is sourced from PubChem (CID 91342248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).