1-(6,8-dimethoxynaphthalen-1-yl)-3-hydroxypropan-2-one

C15H16O4 — CID 70253962

IUPAC1-(6,8-dimethoxynaphthalen-1-yl)-3-hydroxypropan-2-one
SMILESCOc1cc(OC)c2c(CC(=O)CO)cccc2c1
InChIInChI=1S/C15H16O4/c1-18-13-7-11-5-3-4-10(6-12(17)9-16)15(11)14(8-13)19-2/h3-5,7-8,16H,6,9H2,1-2H3
InChIKeyJCEAXWPBCIIQSF-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.96
Rot. Bonds5

About 1-(6,8-dimethoxynaphthalen-1-yl)-3-hydroxypropan-2-one

1-(6,8-dimethoxynaphthalen-1-yl)-3-hydroxypropan-2-one (PubChem CID 70253962) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-(6,8-dimethoxynaphthalen-1-yl)-3-hydroxypropan-2-one.

Molecular Properties

Compound Name1-(6,8-dimethoxynaphthalen-1-yl)-3-hydroxypropan-2-one
PubChem CID70253962
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name1-(6,8-dimethoxynaphthalen-1-yl)-3-hydroxypropan-2-one
SMILESCOc1cc(OC)c2c(CC(=O)CO)cccc2c1
InChIInChI=1S/C15H16O4/c1-18-13-7-11-5-3-4-10(6-12(17)9-16)15(11)14(8-13)19-2/h3-5,7-8,16H,6,9H2,1-2H3
InChIKeyJCEAXWPBCIIQSF-UHFFFAOYSA-N
XLogP1.96
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(6,8-dimethoxynaphthalen-1-yl)-3-hydroxypropan-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(6,8-dimethoxynaphthalen-1-yl)-3-hydroxypropan-2-one?
The IUPAC name of 1-(6,8-dimethoxynaphthalen-1-yl)-3-hydroxypropan-2-one (CID 70253962) is 1-(6,8-dimethoxynaphthalen-1-yl)-3-hydroxypropan-2-one.
What is the SMILES notation for 1-(6,8-dimethoxynaphthalen-1-yl)-3-hydroxypropan-2-one?
The canonical SMILES for 1-(6,8-dimethoxynaphthalen-1-yl)-3-hydroxypropan-2-one is COc1cc(OC)c2c(CC(=O)CO)cccc2c1.
What is the InChIKey of 1-(6,8-dimethoxynaphthalen-1-yl)-3-hydroxypropan-2-one?
The InChIKey is JCEAXWPBCIIQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-18-13-7-11-5-3-4-10(6-12(17)9-16)15(11)14(8-13)19-2/h3-5,7-8,16H,6,9H2,1-2H3.
What are the key properties of 1-(6,8-dimethoxynaphthalen-1-yl)-3-hydroxypropan-2-one?
1-(6,8-dimethoxynaphthalen-1-yl)-3-hydroxypropan-2-one has a molecular weight of 260.29 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,8-dimethoxynaphthalen-1-yl)-3-hydroxypropan-2-one is sourced from PubChem (CID 70253962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).