1-(5-acetyl-3,6-dihydroxynaphthalen-2-yl)ethanone

C14H12O4 — CID 57373263

IUPAC1-(5-acetyl-3,6-dihydroxynaphthalen-2-yl)ethanone
SMILESCC(=O)c1cc2ccc(O)c(C(C)=O)c2cc1O
InChIInChI=1S/C14H12O4/c1-7(15)10-5-9-3-4-12(17)14(8(2)16)11(9)6-13(10)18/h3-6,17-18H,1-2H3
InChIKeySAQJAHCYYSYVJA-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.66
Rot. Bonds2

About 1-(5-acetyl-3,6-dihydroxynaphthalen-2-yl)ethanone

1-(5-acetyl-3,6-dihydroxynaphthalen-2-yl)ethanone (PubChem CID 57373263) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is 1-(5-acetyl-3,6-dihydroxynaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-acetyl-3,6-dihydroxynaphthalen-2-yl)ethanone
PubChem CID57373263
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Name1-(5-acetyl-3,6-dihydroxynaphthalen-2-yl)ethanone
SMILESCC(=O)c1cc2ccc(O)c(C(C)=O)c2cc1O
InChIInChI=1S/C14H12O4/c1-7(15)10-5-9-3-4-12(17)14(8(2)16)11(9)6-13(10)18/h3-6,17-18H,1-2H3
InChIKeySAQJAHCYYSYVJA-UHFFFAOYSA-N
XLogP2.66
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(5-acetyl-3,6-dihydroxynaphthalen-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-hydroxy-6-methoxynaphthalen-1-yl)ethanone
CID 13085663
2,3-diacetyl-4-hydroxybenzamide
CID 174459888
7-acetyl-6-hydroxynaphthalene-2-sulfonamide
CID 142667787
1-[1-acetyl-6-(diethylamino)naphthalen-2-yl]ethanone
CID 175411102
8-acetyl-7-hydroxychromen-2-one
CID 5411574
1-(5-bromo-2-hydroxynaphthalen-1-yl)ethanone
CID 167237921
1-(6-hydroxy-5-methylnaphthalen-2-yl)ethanone
CID 130032637
1-(3-acetylnaphthalen-2-yl)ethanone
CID 13300196
1-[3-acetyl-1-(4-chlorophenyl)-5-hydroxy-2-methylindol-6-yl]ethanone
CID 14920247
7-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid
CID 19606931
1-(1-hydroxyanthracen-9-yl)ethanone
CID 21140475
1-(4-amino-2-hydroxy-5-methoxyphenyl)ethanone
CID 131302310

Frequently Asked Questions

What is the IUPAC name of 1-(5-acetyl-3,6-dihydroxynaphthalen-2-yl)ethanone?
The IUPAC name of 1-(5-acetyl-3,6-dihydroxynaphthalen-2-yl)ethanone (CID 57373263) is 1-(5-acetyl-3,6-dihydroxynaphthalen-2-yl)ethanone.
What is the SMILES notation for 1-(5-acetyl-3,6-dihydroxynaphthalen-2-yl)ethanone?
The canonical SMILES for 1-(5-acetyl-3,6-dihydroxynaphthalen-2-yl)ethanone is CC(=O)c1cc2ccc(O)c(C(C)=O)c2cc1O.
What is the InChIKey of 1-(5-acetyl-3,6-dihydroxynaphthalen-2-yl)ethanone?
The InChIKey is SAQJAHCYYSYVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4/c1-7(15)10-5-9-3-4-12(17)14(8(2)16)11(9)6-13(10)18/h3-6,17-18H,1-2H3.
What are the key properties of 1-(5-acetyl-3,6-dihydroxynaphthalen-2-yl)ethanone?
1-(5-acetyl-3,6-dihydroxynaphthalen-2-yl)ethanone has a molecular weight of 244.25 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-acetyl-3,6-dihydroxynaphthalen-2-yl)ethanone is sourced from PubChem (CID 57373263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).