4-ethyl-6,7-dimethoxy-1H-naphthalen-2-one

C14H16O3 — CID 142069496

IUPAC4-ethyl-6,7-dimethoxy-1H-naphthalen-2-one
SMILESCCC1=CC(=O)Cc2cc(OC)c(OC)cc21
InChIInChI=1S/C14H16O3/c1-4-9-5-11(15)6-10-7-13(16-2)14(17-3)8-12(9)10/h5,7-8H,4,6H2,1-3H3
InChIKeyANHBVIAXORRNDK-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.62
Rot. Bonds3

About 4-ethyl-6,7-dimethoxy-1H-naphthalen-2-one

4-ethyl-6,7-dimethoxy-1H-naphthalen-2-one (PubChem CID 142069496) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-ethyl-6,7-dimethoxy-1H-naphthalen-2-one.

Molecular Properties

Compound Name4-ethyl-6,7-dimethoxy-1H-naphthalen-2-one
PubChem CID142069496
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name4-ethyl-6,7-dimethoxy-1H-naphthalen-2-one
SMILESCCC1=CC(=O)Cc2cc(OC)c(OC)cc21
InChIInChI=1S/C14H16O3/c1-4-9-5-11(15)6-10-7-13(16-2)14(17-3)8-12(9)10/h5,7-8H,4,6H2,1-3H3
InChIKeyANHBVIAXORRNDK-UHFFFAOYSA-N
XLogP2.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6,7-dimethoxy-1H-naphthalen-2-one?
The IUPAC name of 4-ethyl-6,7-dimethoxy-1H-naphthalen-2-one (CID 142069496) is 4-ethyl-6,7-dimethoxy-1H-naphthalen-2-one.
What is the SMILES notation for 4-ethyl-6,7-dimethoxy-1H-naphthalen-2-one?
The canonical SMILES for 4-ethyl-6,7-dimethoxy-1H-naphthalen-2-one is CCC1=CC(=O)Cc2cc(OC)c(OC)cc21.
What is the InChIKey of 4-ethyl-6,7-dimethoxy-1H-naphthalen-2-one?
The InChIKey is ANHBVIAXORRNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-4-9-5-11(15)6-10-7-13(16-2)14(17-3)8-12(9)10/h5,7-8H,4,6H2,1-3H3.
What are the key properties of 4-ethyl-6,7-dimethoxy-1H-naphthalen-2-one?
4-ethyl-6,7-dimethoxy-1H-naphthalen-2-one has a molecular weight of 232.28 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6,7-dimethoxy-1H-naphthalen-2-one is sourced from PubChem (CID 142069496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).