(2R)-5-methoxy-2-methyl-3,4-dihydro-2H-naphthalen-1-one

C12H14O2 — CID 95431927

IUPAC(2R)-5-methoxy-2-methyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1cccc2c1CC[C@@H](C)C2=O
InChIInChI=1S/C12H14O2/c1-8-6-7-9-10(12(8)13)4-3-5-11(9)14-2/h3-5,8H,6-7H2,1-2H3/t8-/m1/s1
InChIKeyAFWLLFHJSICNQK-MRVPVSSYSA-N
MW190.24 g/mol
LogP2.46
Rot. Bonds1

About (2R)-5-methoxy-2-methyl-3,4-dihydro-2H-naphthalen-1-one

(2R)-5-methoxy-2-methyl-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 95431927) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (2R)-5-methoxy-2-methyl-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name(2R)-5-methoxy-2-methyl-3,4-dihydro-2H-naphthalen-1-one
PubChem CID95431927
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(2R)-5-methoxy-2-methyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1cccc2c1CC[C@@H](C)C2=O
InChIInChI=1S/C12H14O2/c1-8-6-7-9-10(12(8)13)4-3-5-11(9)14-2/h3-5,8H,6-7H2,1-2H3/t8-/m1/s1
InChIKeyAFWLLFHJSICNQK-MRVPVSSYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 18941101
5-methoxy-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3,4-dihydro-2H-naphthalen-1-one
CID 175226392
2-bromo-4-methoxy-2,3-dihydroinden-1-one
CID 82024143
7-methoxy-3-oxo-1,2-dihydroindene-2-carbaldehyde
CID 84618834
(2S,8R)-2,8-dimethyl-2,3,4,8,9,10-hexahydrochrysene-1,7-dione
CID 6977247
4-methoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one
CID 84637843
2-(7-methoxy-3-oxo-1,2-dihydroinden-2-yl)acetaldehyde
CID 10632007
(2-methyl-1-oxo-2,3-dihydroinden-4-yl) acetate
CID 22173228
2-methyl-3,4-dihydro-2H-phenanthren-1-one;hydrochloride
CID 141017293
2-amino-8-methoxy-3,4-dihydro-2H-naphthalen-1-one;hydrochloride
CID 19862989
methyl 5-methoxy-3,4-dihydronaphthalene-1-carboxylate
CID 23567165
8-methoxy-1-methyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthren-2-one
CID 135041499

Frequently Asked Questions

What is the IUPAC name of (2R)-5-methoxy-2-methyl-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of (2R)-5-methoxy-2-methyl-3,4-dihydro-2H-naphthalen-1-one (CID 95431927) is (2R)-5-methoxy-2-methyl-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for (2R)-5-methoxy-2-methyl-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for (2R)-5-methoxy-2-methyl-3,4-dihydro-2H-naphthalen-1-one is COc1cccc2c1CC[C@@H](C)C2=O.
What is the InChIKey of (2R)-5-methoxy-2-methyl-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is AFWLLFHJSICNQK-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H14O2/c1-8-6-7-9-10(12(8)13)4-3-5-11(9)14-2/h3-5,8H,6-7H2,1-2H3/t8-/m1/s1.
What are the key properties of (2R)-5-methoxy-2-methyl-3,4-dihydro-2H-naphthalen-1-one?
(2R)-5-methoxy-2-methyl-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 190.24 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-methoxy-2-methyl-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 95431927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).