7,8-dimethoxy-7H-naphthalen-1-one

C12H12O3 — CID 174264213

IUPAC7,8-dimethoxy-7H-naphthalen-1-one
SMILESCOC1=C2C(=O)C=CC=C2C=CC1OC
InChIInChI=1S/C12H12O3/c1-14-10-7-6-8-4-3-5-9(13)11(8)12(10)15-2/h3-7,10H,1-2H3
InChIKeyJZIIOCLOASHDLP-UHFFFAOYSA-N
MW204.22 g/mol
LogP1.54
Rot. Bonds2

About 7,8-dimethoxy-7H-naphthalen-1-one

7,8-dimethoxy-7H-naphthalen-1-one (PubChem CID 174264213) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is 7,8-dimethoxy-7H-naphthalen-1-one.

Molecular Properties

Compound Name7,8-dimethoxy-7H-naphthalen-1-one
PubChem CID174264213
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name7,8-dimethoxy-7H-naphthalen-1-one
SMILESCOC1=C2C(=O)C=CC=C2C=CC1OC
InChIInChI=1S/C12H12O3/c1-14-10-7-6-8-4-3-5-9(13)11(8)12(10)15-2/h3-7,10H,1-2H3
InChIKeyJZIIOCLOASHDLP-UHFFFAOYSA-N
XLogP1.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-7H-naphthalen-1-one?
The IUPAC name of 7,8-dimethoxy-7H-naphthalen-1-one (CID 174264213) is 7,8-dimethoxy-7H-naphthalen-1-one.
What is the SMILES notation for 7,8-dimethoxy-7H-naphthalen-1-one?
The canonical SMILES for 7,8-dimethoxy-7H-naphthalen-1-one is COC1=C2C(=O)C=CC=C2C=CC1OC.
What is the InChIKey of 7,8-dimethoxy-7H-naphthalen-1-one?
The InChIKey is JZIIOCLOASHDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-14-10-7-6-8-4-3-5-9(13)11(8)12(10)15-2/h3-7,10H,1-2H3.
What are the key properties of 7,8-dimethoxy-7H-naphthalen-1-one?
7,8-dimethoxy-7H-naphthalen-1-one has a molecular weight of 204.22 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-7H-naphthalen-1-one is sourced from PubChem (CID 174264213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).