3,7-dimethoxy-1H-naphthalen-2-one

C12H12O3 — CID 142704894

IUPAC3,7-dimethoxy-1H-naphthalen-2-one
SMILESCOC1=Cc2ccc(OC)cc2CC1=O
InChIInChI=1S/C12H12O3/c1-14-10-4-3-8-7-12(15-2)11(13)6-9(8)5-10/h3-5,7H,6H2,1-2H3
InChIKeyHZXRTJADXSOIKE-UHFFFAOYSA-N
MW204.22 g/mol
LogP1.81
Rot. Bonds2

About 3,7-dimethoxy-1H-naphthalen-2-one

3,7-dimethoxy-1H-naphthalen-2-one (PubChem CID 142704894) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is 3,7-dimethoxy-1H-naphthalen-2-one.

Molecular Properties

Compound Name3,7-dimethoxy-1H-naphthalen-2-one
PubChem CID142704894
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name3,7-dimethoxy-1H-naphthalen-2-one
SMILESCOC1=Cc2ccc(OC)cc2CC1=O
InChIInChI=1S/C12H12O3/c1-14-10-4-3-8-7-12(15-2)11(13)6-9(8)5-10/h3-5,7H,6H2,1-2H3
InChIKeyHZXRTJADXSOIKE-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(6-methoxy-3,4-dihydronaphthalen-2-yl)propan-2-amine
CID 105471629
7-methoxy-10H-phenanthren-9-one
CID 135042116
6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14112
7-methoxy-3,4-dihydro-1H-naphthalen-2-one;sulfurous acid
CID 23025244
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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethoxy-1H-naphthalen-2-one?
The IUPAC name of 3,7-dimethoxy-1H-naphthalen-2-one (CID 142704894) is 3,7-dimethoxy-1H-naphthalen-2-one.
What is the SMILES notation for 3,7-dimethoxy-1H-naphthalen-2-one?
The canonical SMILES for 3,7-dimethoxy-1H-naphthalen-2-one is COC1=Cc2ccc(OC)cc2CC1=O.
What is the InChIKey of 3,7-dimethoxy-1H-naphthalen-2-one?
The InChIKey is HZXRTJADXSOIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-14-10-4-3-8-7-12(15-2)11(13)6-9(8)5-10/h3-5,7H,6H2,1-2H3.
What are the key properties of 3,7-dimethoxy-1H-naphthalen-2-one?
3,7-dimethoxy-1H-naphthalen-2-one has a molecular weight of 204.22 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethoxy-1H-naphthalen-2-one is sourced from PubChem (CID 142704894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).