1-(6-hydroxy-5-methylnaphthalen-2-yl)ethanone

C13H12O2 — CID 130032637

IUPAC1-(6-hydroxy-5-methylnaphthalen-2-yl)ethanone
SMILESCC(=O)c1ccc2c(C)c(O)ccc2c1
InChIInChI=1S/C13H12O2/c1-8-12-5-3-10(9(2)14)7-11(12)4-6-13(8)15/h3-7,15H,1-2H3
InChIKeyPEWLDURTQBGGOP-UHFFFAOYSA-N
MW200.24 g/mol
LogP3.06
Rot. Bonds1

About 1-(6-hydroxy-5-methylnaphthalen-2-yl)ethanone

1-(6-hydroxy-5-methylnaphthalen-2-yl)ethanone (PubChem CID 130032637) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-(6-hydroxy-5-methylnaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name1-(6-hydroxy-5-methylnaphthalen-2-yl)ethanone
PubChem CID130032637
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name1-(6-hydroxy-5-methylnaphthalen-2-yl)ethanone
SMILESCC(=O)c1ccc2c(C)c(O)ccc2c1
InChIInChI=1S/C13H12O2/c1-8-12-5-3-10(9(2)14)7-11(12)4-6-13(8)15/h3-7,15H,1-2H3
InChIKeyPEWLDURTQBGGOP-UHFFFAOYSA-N
XLogP3.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-hydroxy-5-methylnaphthalen-2-yl)ethanone?
The IUPAC name of 1-(6-hydroxy-5-methylnaphthalen-2-yl)ethanone (CID 130032637) is 1-(6-hydroxy-5-methylnaphthalen-2-yl)ethanone.
What is the SMILES notation for 1-(6-hydroxy-5-methylnaphthalen-2-yl)ethanone?
The canonical SMILES for 1-(6-hydroxy-5-methylnaphthalen-2-yl)ethanone is CC(=O)c1ccc2c(C)c(O)ccc2c1.
What is the InChIKey of 1-(6-hydroxy-5-methylnaphthalen-2-yl)ethanone?
The InChIKey is PEWLDURTQBGGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2/c1-8-12-5-3-10(9(2)14)7-11(12)4-6-13(8)15/h3-7,15H,1-2H3.
What are the key properties of 1-(6-hydroxy-5-methylnaphthalen-2-yl)ethanone?
1-(6-hydroxy-5-methylnaphthalen-2-yl)ethanone has a molecular weight of 200.24 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-hydroxy-5-methylnaphthalen-2-yl)ethanone is sourced from PubChem (CID 130032637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).