(1R)-7-methoxy-1-methyl-3,4-dihydro-1H-naphthalen-2-one

C12H14O2 — CID 86306624

IUPAC(1R)-7-methoxy-1-methyl-3,4-dihydro-1H-naphthalen-2-one
SMILESCOc1ccc2c(c1)[C@@H](C)C(=O)CC2
InChIInChI=1S/C12H14O2/c1-8-11-7-10(14-2)5-3-9(11)4-6-12(8)13/h3,5,7-8H,4,6H2,1-2H3/t8-/m1/s1
InChIKeyDYIWPPSNJSVFED-MRVPVSSYSA-N
MW190.24 g/mol
LogP2.31
Rot. Bonds1

About (1R)-7-methoxy-1-methyl-3,4-dihydro-1H-naphthalen-2-one

(1R)-7-methoxy-1-methyl-3,4-dihydro-1H-naphthalen-2-one (PubChem CID 86306624) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (1R)-7-methoxy-1-methyl-3,4-dihydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name(1R)-7-methoxy-1-methyl-3,4-dihydro-1H-naphthalen-2-one
PubChem CID86306624
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(1R)-7-methoxy-1-methyl-3,4-dihydro-1H-naphthalen-2-one
SMILESCOc1ccc2c(c1)[C@@H](C)C(=O)CC2
InChIInChI=1S/C12H14O2/c1-8-11-7-10(14-2)5-3-9(11)4-6-12(8)13/h3,5,7-8H,4,6H2,1-2H3/t8-/m1/s1
InChIKeyDYIWPPSNJSVFED-MRVPVSSYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 81421647
6-methoxy-2,3-dihydro-1H-indene-1-thiol
CID 79374496
acetaldehyde;7-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene
CID 175495891
7-methoxy-2,2a,4,8b-tetrahydro-1H-cyclobuta[a]naphthalen-3-one
CID 14613768
10-methoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
CID 23333695
6-methoxy-1-phenyl-3,4-dihydro-1H-naphthalen-2-one
CID 10243928
6-methoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 18627821
3,6-dimethoxy-1,2-dihydronaphthalene
CID 13364263
ethane;6-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 142283526
1-benzyl-8-methoxy-1,2,4,5-tetrahydro-2-benzazepin-3-one
CID 70982269
1,2,7-trimethoxy-1,2,3,4-tetrahydronaphthalene
CID 102014911
(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 71756873

Frequently Asked Questions

What is the IUPAC name of (1R)-7-methoxy-1-methyl-3,4-dihydro-1H-naphthalen-2-one?
The IUPAC name of (1R)-7-methoxy-1-methyl-3,4-dihydro-1H-naphthalen-2-one (CID 86306624) is (1R)-7-methoxy-1-methyl-3,4-dihydro-1H-naphthalen-2-one.
What is the SMILES notation for (1R)-7-methoxy-1-methyl-3,4-dihydro-1H-naphthalen-2-one?
The canonical SMILES for (1R)-7-methoxy-1-methyl-3,4-dihydro-1H-naphthalen-2-one is COc1ccc2c(c1)[C@@H](C)C(=O)CC2.
What is the InChIKey of (1R)-7-methoxy-1-methyl-3,4-dihydro-1H-naphthalen-2-one?
The InChIKey is DYIWPPSNJSVFED-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H14O2/c1-8-11-7-10(14-2)5-3-9(11)4-6-12(8)13/h3,5,7-8H,4,6H2,1-2H3/t8-/m1/s1.
What are the key properties of (1R)-7-methoxy-1-methyl-3,4-dihydro-1H-naphthalen-2-one?
(1R)-7-methoxy-1-methyl-3,4-dihydro-1H-naphthalen-2-one has a molecular weight of 190.24 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-7-methoxy-1-methyl-3,4-dihydro-1H-naphthalen-2-one is sourced from PubChem (CID 86306624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).