8-methoxy-6-methyl-3,4-dihydro-2H-naphthalen-1-one

C12H14O2 — CID 10943275

IUPAC8-methoxy-6-methyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1cc(C)cc2c1C(=O)CCC2
InChIInChI=1S/C12H14O2/c1-8-6-9-4-3-5-10(13)12(9)11(7-8)14-2/h6-7H,3-5H2,1-2H3
InChIKeyVYHOXZKLZKNCDN-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.52
Rot. Bonds1

About 8-methoxy-6-methyl-3,4-dihydro-2H-naphthalen-1-one

8-methoxy-6-methyl-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 10943275) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 8-methoxy-6-methyl-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name8-methoxy-6-methyl-3,4-dihydro-2H-naphthalen-1-one
PubChem CID10943275
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name8-methoxy-6-methyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1cc(C)cc2c1C(=O)CCC2
InChIInChI=1S/C12H14O2/c1-8-6-9-4-3-5-10(13)12(9)11(7-8)14-2/h6-7H,3-5H2,1-2H3
InChIKeyVYHOXZKLZKNCDN-UHFFFAOYSA-N
XLogP2.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Nabumetone
CID 4409
Beta-Naphthoflavone
CID 2361
Isoflavone
CID 72304
Alpha-Naphthoflavone
CID 11790
Chromone
CID 10286
2'-Methoxyacetophenone
CID 68481
3-Methylchromone
CID 66569
1,4-Dimethoxyanthraquinone
CID 266054
6-Methoxy-alpha-tetralone
CID 14112
3'-Methoxyflavone
CID 619834
3-Methoxy-7H-benz(de)anthracen-7-one
CID 77267
6-Methoxy-2-naphthaldehyde
CID 76991

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-6-methyl-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 8-methoxy-6-methyl-3,4-dihydro-2H-naphthalen-1-one (CID 10943275) is 8-methoxy-6-methyl-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 8-methoxy-6-methyl-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 8-methoxy-6-methyl-3,4-dihydro-2H-naphthalen-1-one is COc1cc(C)cc2c1C(=O)CCC2.
What is the InChIKey of 8-methoxy-6-methyl-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is VYHOXZKLZKNCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-8-6-9-4-3-5-10(13)12(9)11(7-8)14-2/h6-7H,3-5H2,1-2H3.
What are the key properties of 8-methoxy-6-methyl-3,4-dihydro-2H-naphthalen-1-one?
8-methoxy-6-methyl-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 190.24 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-6-methyl-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 10943275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).