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

C11H14O2 — CID 141009852

IUPAC6-methoxy-2-methyl-2,3,4,5-tetrahydroinden-1-one
SMILESCOC1=CC2=C(CC1)CC(C)C2=O
InChIInChI=1S/C11H14O2/c1-7-5-8-3-4-9(13-2)6-10(8)11(7)12/h6-7H,3-5H2,1-2H3
InChIKeyZRFGNJPPPCXPPG-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.22
Rot. Bonds1

About 6-methoxy-2-methyl-2,3,4,5-tetrahydroinden-1-one

6-methoxy-2-methyl-2,3,4,5-tetrahydroinden-1-one (PubChem CID 141009852) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 6-methoxy-2-methyl-2,3,4,5-tetrahydroinden-1-one.

Molecular Properties

Compound Name6-methoxy-2-methyl-2,3,4,5-tetrahydroinden-1-one
PubChem CID141009852
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name6-methoxy-2-methyl-2,3,4,5-tetrahydroinden-1-one
SMILESCOC1=CC2=C(CC1)CC(C)C2=O
InChIInChI=1S/C11H14O2/c1-7-5-8-3-4-9(13-2)6-10(8)11(7)12/h6-7H,3-5H2,1-2H3
InChIKeyZRFGNJPPPCXPPG-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

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Related Compounds

(9S)-9-methyl-1-methylidene-3-prop-1-en-2-yl-6,7,8,9-tetrahydro-2-benzoxepin-5-one
CID 90475018
6-Butyl-3-methoxy-2-cyclohexen-1-one
CID 580988
4,4a,5,6-Tetrahydro-7-methoxy-2(3H)-naphthalenone
CID 12229722
2-Cyclopentyl-3-methoxy-cyclohex-2-enone
CID 22260071
3-Methoxy-5-pentyl-2-cyclohexen-1-one
CID 3017092
5-Fluoro-6-methoxy-2,3,4,5-tetrahydroinden-1-one
CID 140987151
2-Cyclohexen-1-one, 4-butyl-3-methoxy-
CID 574101
2-Cyclopentyl-3-methoxy-5-methylcyclohex-2-en-1-one
CID 12044632
2-Cyclopentyl-3-methoxy-4-methylcyclohex-2-en-1-one
CID 101169308
2-Cyclopenten-1-one, 4-butyl-3-methoxy-
CID 573931
(4R,5R)-3-methoxy-4,5-dipentylcyclopent-2-en-1-one
CID 21677000
3-(3-Methoxy-3-methylbutyl)-5-methylcyclohex-5-en-1-one
CID 10899886

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-2,3,4,5-tetrahydroinden-1-one?
The IUPAC name of 6-methoxy-2-methyl-2,3,4,5-tetrahydroinden-1-one (CID 141009852) is 6-methoxy-2-methyl-2,3,4,5-tetrahydroinden-1-one.
What is the SMILES notation for 6-methoxy-2-methyl-2,3,4,5-tetrahydroinden-1-one?
The canonical SMILES for 6-methoxy-2-methyl-2,3,4,5-tetrahydroinden-1-one is COC1=CC2=C(CC1)CC(C)C2=O.
What is the InChIKey of 6-methoxy-2-methyl-2,3,4,5-tetrahydroinden-1-one?
The InChIKey is ZRFGNJPPPCXPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-7-5-8-3-4-9(13-2)6-10(8)11(7)12/h6-7H,3-5H2,1-2H3.
What are the key properties of 6-methoxy-2-methyl-2,3,4,5-tetrahydroinden-1-one?
6-methoxy-2-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 6-methoxy-2-methyl-2,3,4,5-tetrahydroinden-1-one is sourced from PubChem (CID 141009852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).