5-methoxy-7-methyl-3,4-dihydro-2H-naphthalen-1-one

C12H14O2 — CID 11355962

IUPAC5-methoxy-7-methyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1cc(C)cc2c1CCCC2=O
InChIInChI=1S/C12H14O2/c1-8-6-10-9(12(7-8)14-2)4-3-5-11(10)13/h6-7H,3-5H2,1-2H3
InChIKeyYTUAYXPBTHCZLU-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.52
Rot. Bonds1

About 5-methoxy-7-methyl-3,4-dihydro-2H-naphthalen-1-one

5-methoxy-7-methyl-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 11355962) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 5-methoxy-7-methyl-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name5-methoxy-7-methyl-3,4-dihydro-2H-naphthalen-1-one
PubChem CID11355962
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name5-methoxy-7-methyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1cc(C)cc2c1CCCC2=O
InChIInChI=1S/C12H14O2/c1-8-6-10-9(12(7-8)14-2)4-3-5-11(10)13/h6-7H,3-5H2,1-2H3
InChIKeyYTUAYXPBTHCZLU-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

Analyze 5-methoxy-7-methyl-3,4-dihydro-2H-naphthalen-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-methoxy-6-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 10241621
4,6-dimethyl-2,3-dihydroinden-1-one
CID 640553
6,8-dimethoxy-2,3,9,10-tetrahydro-1H-phenanthren-4-one
CID 11118740
6-methoxy-7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one
CID 121429782
7,9-dimethyl-1,2,3,4-tetrahydro-1-benzazepin-1-ium-5-one
CID 140577603
6-methoxy-5-phenoxy-3,4-dihydro-2H-naphthalen-1-one
CID 22325058
3-methoxy-8-oxo-6,7-dihydro-5H-naphthalene-2-sulfonyl chloride
CID 43118917
methyl 3-chloro-2-methoxy-5-oxo-7,8-dihydro-6H-naphthalene-1-carboxylate
CID 171787922
2-fluoro-3-methoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 169495029
3-methoxy-2-(2,4,5-trimethoxyphenyl)cyclohex-2-en-1-one
CID 626129
1-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-6,7-dihydro-5H-indol-4-one
CID 63466940
5-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 169410270

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-7-methyl-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 5-methoxy-7-methyl-3,4-dihydro-2H-naphthalen-1-one (CID 11355962) is 5-methoxy-7-methyl-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 5-methoxy-7-methyl-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 5-methoxy-7-methyl-3,4-dihydro-2H-naphthalen-1-one is COc1cc(C)cc2c1CCCC2=O.
What is the InChIKey of 5-methoxy-7-methyl-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is YTUAYXPBTHCZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-8-6-10-9(12(7-8)14-2)4-3-5-11(10)13/h6-7H,3-5H2,1-2H3.
What are the key properties of 5-methoxy-7-methyl-3,4-dihydro-2H-naphthalen-1-one?
5-methoxy-7-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 5-methoxy-7-methyl-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 11355962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).