7-methoxy-4-methyl-2,3,4,5-tetrahydroinden-1-one

C11H14O2 — CID 141318141

IUPAC7-methoxy-4-methyl-2,3,4,5-tetrahydroinden-1-one
SMILESCOC1=CCC(C)C2=C1C(=O)CC2
InChIInChI=1S/C11H14O2/c1-7-3-6-10(13-2)11-8(7)4-5-9(11)12/h6-7H,3-5H2,1-2H3
InChIKeyOEOMAICMWMYIRJ-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.22
Rot. Bonds1

About 7-methoxy-4-methyl-2,3,4,5-tetrahydroinden-1-one

7-methoxy-4-methyl-2,3,4,5-tetrahydroinden-1-one (PubChem CID 141318141) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 7-methoxy-4-methyl-2,3,4,5-tetrahydroinden-1-one.

Molecular Properties

Compound Name7-methoxy-4-methyl-2,3,4,5-tetrahydroinden-1-one
PubChem CID141318141
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name7-methoxy-4-methyl-2,3,4,5-tetrahydroinden-1-one
SMILESCOC1=CCC(C)C2=C1C(=O)CC2
InChIInChI=1S/C11H14O2/c1-7-3-6-10(13-2)11-8(7)4-5-9(11)12/h6-7H,3-5H2,1-2H3
InChIKeyOEOMAICMWMYIRJ-UHFFFAOYSA-N
XLogP2.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-methoxy-4-methyl-2,3,4,5-tetrahydroinden-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

Dehydronepetalactone
CID 528332
(9S)-9-methyl-1-methylidene-3-prop-1-en-2-yl-6,7,8,9-tetrahydro-2-benzoxepin-5-one
CID 90475018
5,5-Difluoro-7-methoxy-2,2-dimethyl-3,4-dihydroinden-1-one
CID 69350958
(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
2-(Cyclohexen-1-yl)-4-methoxy-4-methylcyclopent-2-en-1-one
CID 139248711
(5R,8S)-4-methoxy-3,8-dimethyl-5-[(2S)-6-methylhept-5-en-2-yl]-5,6,7,8-tetrahydronaphthalene-1,2-dione
CID 68424034
1-(4-methoxy-6,6-dimethyl-7H-cyclopenta[c]pyran-5-yl)-2-methylpropan-1-one
CID 69565526
7-Methoxy-2,3,4,5-tetrahydroinden-1-one
CID 140983016
6-Methoxy-2-methyl-2,3,4,5-tetrahydroinden-1-one
CID 141009852
4,7-Dimethoxy-2,3,4,5-tetrahydroinden-1-one
CID 141318143
5,7-Dimethoxy-2,3,4,5-tetrahydroinden-1-one
CID 141318144

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-methyl-2,3,4,5-tetrahydroinden-1-one?
The IUPAC name of 7-methoxy-4-methyl-2,3,4,5-tetrahydroinden-1-one (CID 141318141) is 7-methoxy-4-methyl-2,3,4,5-tetrahydroinden-1-one.
What is the SMILES notation for 7-methoxy-4-methyl-2,3,4,5-tetrahydroinden-1-one?
The canonical SMILES for 7-methoxy-4-methyl-2,3,4,5-tetrahydroinden-1-one is COC1=CCC(C)C2=C1C(=O)CC2.
What is the InChIKey of 7-methoxy-4-methyl-2,3,4,5-tetrahydroinden-1-one?
The InChIKey is OEOMAICMWMYIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-7-3-6-10(13-2)11-8(7)4-5-9(11)12/h6-7H,3-5H2,1-2H3.
What are the key properties of 7-methoxy-4-methyl-2,3,4,5-tetrahydroinden-1-one?
7-methoxy-4-methyl-2,3,4,5-tetrahydroinden-1-one has a molecular weight of 178.23 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-methyl-2,3,4,5-tetrahydroinden-1-one is sourced from PubChem (CID 141318141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).