5,8-dimethoxy-5,6,7,8-tetrahydro-1H-naphthalen-2-one

C12H16O3 — CID 70490705

IUPAC5,8-dimethoxy-5,6,7,8-tetrahydro-1H-naphthalen-2-one
SMILESCOC1CCC(OC)C2=C1C=CC(=O)C2
InChIInChI=1S/C12H16O3/c1-14-11-5-6-12(15-2)10-7-8(13)3-4-9(10)11/h3-4,11-12H,5-7H2,1-2H3
InChIKeyNSNXOXIQPPIHST-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.64
Rot. Bonds2

About 5,8-dimethoxy-5,6,7,8-tetrahydro-1H-naphthalen-2-one

5,8-dimethoxy-5,6,7,8-tetrahydro-1H-naphthalen-2-one (PubChem CID 70490705) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 5,8-dimethoxy-5,6,7,8-tetrahydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name5,8-dimethoxy-5,6,7,8-tetrahydro-1H-naphthalen-2-one
PubChem CID70490705
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name5,8-dimethoxy-5,6,7,8-tetrahydro-1H-naphthalen-2-one
SMILESCOC1CCC(OC)C2=C1C=CC(=O)C2
InChIInChI=1S/C12H16O3/c1-14-11-5-6-12(15-2)10-7-8(13)3-4-9(10)11/h3-4,11-12H,5-7H2,1-2H3
InChIKeyNSNXOXIQPPIHST-UHFFFAOYSA-N
XLogP1.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethoxy-5,6,7,8-tetrahydro-1H-naphthalen-2-one?
The IUPAC name of 5,8-dimethoxy-5,6,7,8-tetrahydro-1H-naphthalen-2-one (CID 70490705) is 5,8-dimethoxy-5,6,7,8-tetrahydro-1H-naphthalen-2-one.
What is the SMILES notation for 5,8-dimethoxy-5,6,7,8-tetrahydro-1H-naphthalen-2-one?
The canonical SMILES for 5,8-dimethoxy-5,6,7,8-tetrahydro-1H-naphthalen-2-one is COC1CCC(OC)C2=C1C=CC(=O)C2.
What is the InChIKey of 5,8-dimethoxy-5,6,7,8-tetrahydro-1H-naphthalen-2-one?
The InChIKey is NSNXOXIQPPIHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-14-11-5-6-12(15-2)10-7-8(13)3-4-9(10)11/h3-4,11-12H,5-7H2,1-2H3.
What are the key properties of 5,8-dimethoxy-5,6,7,8-tetrahydro-1H-naphthalen-2-one?
5,8-dimethoxy-5,6,7,8-tetrahydro-1H-naphthalen-2-one has a molecular weight of 208.26 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethoxy-5,6,7,8-tetrahydro-1H-naphthalen-2-one is sourced from PubChem (CID 70490705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).