6-hydroxy-6-methyl-5H-naphthalene-2-carboxylic acid

C12H12O3 — CID 163542190

IUPAC6-hydroxy-6-methyl-5H-naphthalene-2-carboxylic acid
SMILESCC1(O)C=Cc2cc(C(=O)O)ccc2C1
InChIInChI=1S/C12H12O3/c1-12(15)5-4-8-6-9(11(13)14)2-3-10(8)7-12/h2-6,15H,7H2,1H3,(H,13,14)
InChIKeyFCAXMANDVOYNJR-UHFFFAOYSA-N
MW204.22 g/mol
LogP1.71
Rot. Bonds1

About 6-hydroxy-6-methyl-5H-naphthalene-2-carboxylic acid

6-hydroxy-6-methyl-5H-naphthalene-2-carboxylic acid (PubChem CID 163542190) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is 6-hydroxy-6-methyl-5H-naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-6-methyl-5H-naphthalene-2-carboxylic acid
PubChem CID163542190
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name6-hydroxy-6-methyl-5H-naphthalene-2-carboxylic acid
SMILESCC1(O)C=Cc2cc(C(=O)O)ccc2C1
InChIInChI=1S/C12H12O3/c1-12(15)5-4-8-6-9(11(13)14)2-3-10(8)7-12/h2-6,15H,7H2,1H3,(H,13,14)
InChIKeyFCAXMANDVOYNJR-UHFFFAOYSA-N
XLogP1.71
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-6-methyl-5H-naphthalene-2-carboxylic acid?
The IUPAC name of 6-hydroxy-6-methyl-5H-naphthalene-2-carboxylic acid (CID 163542190) is 6-hydroxy-6-methyl-5H-naphthalene-2-carboxylic acid.
What is the SMILES notation for 6-hydroxy-6-methyl-5H-naphthalene-2-carboxylic acid?
The canonical SMILES for 6-hydroxy-6-methyl-5H-naphthalene-2-carboxylic acid is CC1(O)C=Cc2cc(C(=O)O)ccc2C1.
What is the InChIKey of 6-hydroxy-6-methyl-5H-naphthalene-2-carboxylic acid?
The InChIKey is FCAXMANDVOYNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-12(15)5-4-8-6-9(11(13)14)2-3-10(8)7-12/h2-6,15H,7H2,1H3,(H,13,14).
What are the key properties of 6-hydroxy-6-methyl-5H-naphthalene-2-carboxylic acid?
6-hydroxy-6-methyl-5H-naphthalene-2-carboxylic acid has a molecular weight of 204.22 g/mol, XLogP of 1.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-6-methyl-5H-naphthalene-2-carboxylic acid is sourced from PubChem (CID 163542190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).