(4S)-6,7-dimethoxy-4-methyl-3,4-dihydro-1H-naphthalen-2-one

C13H16O3 — CID 129406280

IUPAC(4S)-6,7-dimethoxy-4-methyl-3,4-dihydro-1H-naphthalen-2-one
SMILESCOc1cc2c(cc1OC)[C@@H](C)CC(=O)C2
InChIInChI=1S/C13H16O3/c1-8-4-10(14)5-9-6-12(15-2)13(16-3)7-11(8)9/h6-8H,4-5H2,1-3H3/t8-/m0/s1
InChIKeyNHRZZQJPACNMBB-QMMMGPOBSA-N
MW220.27 g/mol
LogP2.32
Rot. Bonds2

About (4S)-6,7-dimethoxy-4-methyl-3,4-dihydro-1H-naphthalen-2-one

(4S)-6,7-dimethoxy-4-methyl-3,4-dihydro-1H-naphthalen-2-one (PubChem CID 129406280) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is (4S)-6,7-dimethoxy-4-methyl-3,4-dihydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name(4S)-6,7-dimethoxy-4-methyl-3,4-dihydro-1H-naphthalen-2-one
PubChem CID129406280
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name(4S)-6,7-dimethoxy-4-methyl-3,4-dihydro-1H-naphthalen-2-one
SMILESCOc1cc2c(cc1OC)[C@@H](C)CC(=O)C2
InChIInChI=1S/C13H16O3/c1-8-4-10(14)5-9-6-12(15-2)13(16-3)7-11(8)9/h6-8H,4-5H2,1-3H3/t8-/m0/s1
InChIKeyNHRZZQJPACNMBB-QMMMGPOBSA-N
XLogP2.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-dimethoxy-3-methyl-2,3-dihydroinden-1-one
CID 605781
(3S)-5,6-dimethoxy-3-methyl-2,3-dihydroinden-1-one
CID 18445644
5-(2-bromo-4,5-dimethoxyphenyl)cyclohexane-1,3-dione
CID 81340636
9,10-dimethoxy-1,6,7,11b-tetrahydrobenzo[a]quinolizine-2,4-dione
CID 3379225
5,6-dimethoxy-3,8-dihydrocyclobuta[b]naphthalene-1,2-dione
CID 10752785
(1R)-1-(2-chlorophenyl)-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one
CID 743951
(7S)-3,4-dimethoxy-7-propylbicyclo[4.2.0]octa-1,3,5-triene
CID 147197844
5,6-dimethoxy-2,3-dihydro-1H-indene-1,2-diol
CID 71395890
(1R)-1-(2-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-1,4-dihydroisochromen-3-one
CID 1107516
(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl chloride
CID 88889516
(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate
CID 7055845
6,7-dimethoxy-1-(4-methoxyphenyl)-2,4-dihydro-1H-isoquinolin-3-one
CID 6456492

Frequently Asked Questions

What is the IUPAC name of (4S)-6,7-dimethoxy-4-methyl-3,4-dihydro-1H-naphthalen-2-one?
The IUPAC name of (4S)-6,7-dimethoxy-4-methyl-3,4-dihydro-1H-naphthalen-2-one (CID 129406280) is (4S)-6,7-dimethoxy-4-methyl-3,4-dihydro-1H-naphthalen-2-one.
What is the SMILES notation for (4S)-6,7-dimethoxy-4-methyl-3,4-dihydro-1H-naphthalen-2-one?
The canonical SMILES for (4S)-6,7-dimethoxy-4-methyl-3,4-dihydro-1H-naphthalen-2-one is COc1cc2c(cc1OC)[C@@H](C)CC(=O)C2.
What is the InChIKey of (4S)-6,7-dimethoxy-4-methyl-3,4-dihydro-1H-naphthalen-2-one?
The InChIKey is NHRZZQJPACNMBB-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H16O3/c1-8-4-10(14)5-9-6-12(15-2)13(16-3)7-11(8)9/h6-8H,4-5H2,1-3H3/t8-/m0/s1.
What are the key properties of (4S)-6,7-dimethoxy-4-methyl-3,4-dihydro-1H-naphthalen-2-one?
(4S)-6,7-dimethoxy-4-methyl-3,4-dihydro-1H-naphthalen-2-one has a molecular weight of 220.27 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6,7-dimethoxy-4-methyl-3,4-dihydro-1H-naphthalen-2-one is sourced from PubChem (CID 129406280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).