8-methoxy-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one

C12H16O2 — CID 10104038

IUPAC8-methoxy-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one
SMILESCOC1=CCCC2(C)CCC(=O)C=C12
InChIInChI=1S/C12H16O2/c1-12-6-3-4-11(14-2)10(12)8-9(13)5-7-12/h4,8H,3,5-7H2,1-2H3
InChIKeySNYDSSJPDHIKAG-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.61
Rot. Bonds1

About 8-methoxy-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one

8-methoxy-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one (PubChem CID 10104038) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 8-methoxy-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one.

Molecular Properties

Compound Name8-methoxy-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one
PubChem CID10104038
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name8-methoxy-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one
SMILESCOC1=CCCC2(C)CCC(=O)C=C12
InChIInChI=1S/C12H16O2/c1-12-6-3-4-11(14-2)10(12)8-9(13)5-7-12/h4,8H,3,5-7H2,1-2H3
InChIKeySNYDSSJPDHIKAG-UHFFFAOYSA-N
XLogP2.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-methoxy-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-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

(9S)-9-methyl-1-methylidene-3-prop-1-en-2-yl-6,7,8,9-tetrahydro-2-benzoxepin-5-one
CID 90475018
4,4a,5,6-Tetrahydro-7-methoxy-2(3H)-naphthalenone
CID 12229722
3-(1-Butoxyvinyl)-5,5-dimethylcyclohex-2-enone
CID 34178725
7,7-Dimethyl-3-pentyl-6,8-dihydrochromene-2,5-dione
CID 134856157
7'-Methylspiro[cyclohexane-1,4'-pyrano[4,3-b]pyran]-5'-one
CID 134863063
6,7a,11-trimethyl-3,4,5,8-tetrahydro-2H-benzo[i][1]benzoxepine-7,9-dione
CID 134973735
(5S)-2-methoxy-6,6-dimethyl-4-oxobicyclo[3.3.1]nona-1(9),2-dien-9-olate
CID 135013990
2-Methoxy-8,8-dimethyl-4-oxobicyclo[3.3.1]nona-1(9),2-dien-9-olate
CID 135039808
6,8-Dimethoxy-3-methylidenespiro[4.5]deca-6,8-dien-10-one
CID 177853720
(4aR,5S)-3,4a,5-trimethyl-5,6-dihydro-4H-benzo[f][1]benzofuran-2,7-dione
CID 15383533
7,7-Dimethyl-4-propyl-6,8-dihydrochromene-2,5-dione
CID 101410534
(5R,8S)-4-methoxy-3,8-dimethyl-5-[(2S)-pent-4-en-2-yl]-5,6,7,8-tetrahydronaphthalene-1,2-dione
CID 11989825

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one?
The IUPAC name of 8-methoxy-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one (CID 10104038) is 8-methoxy-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one.
What is the SMILES notation for 8-methoxy-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one?
The canonical SMILES for 8-methoxy-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one is COC1=CCCC2(C)CCC(=O)C=C12.
What is the InChIKey of 8-methoxy-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one?
The InChIKey is SNYDSSJPDHIKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-12-6-3-4-11(14-2)10(12)8-9(13)5-7-12/h4,8H,3,5-7H2,1-2H3.
What are the key properties of 8-methoxy-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one?
8-methoxy-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one has a molecular weight of 192.26 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one is sourced from PubChem (CID 10104038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).