2,6-dimethoxy-4-methylcyclohexa-2,5-dien-1-one

C9H12O3 — CID 142171284

IUPAC2,6-dimethoxy-4-methylcyclohexa-2,5-dien-1-one
SMILESCOC1=CC(C)C=C(OC)C1=O
InChIInChI=1S/C9H12O3/c1-6-4-7(11-2)9(10)8(5-6)12-3/h4-6H,1-3H3
InChIKeyDAGNGTPBDUQXJB-UHFFFAOYSA-N
MW168.19 g/mol
LogP1.27
Rot. Bonds2

About 2,6-dimethoxy-4-methylcyclohexa-2,5-dien-1-one

2,6-dimethoxy-4-methylcyclohexa-2,5-dien-1-one (PubChem CID 142171284) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is 2,6-dimethoxy-4-methylcyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name2,6-dimethoxy-4-methylcyclohexa-2,5-dien-1-one
PubChem CID142171284
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name2,6-dimethoxy-4-methylcyclohexa-2,5-dien-1-one
SMILESCOC1=CC(C)C=C(OC)C1=O
InChIInChI=1S/C9H12O3/c1-6-4-7(11-2)9(10)8(5-6)12-3/h4-6H,1-3H3
InChIKeyDAGNGTPBDUQXJB-UHFFFAOYSA-N
XLogP1.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-6-methoxy-4-methylcyclohexa-2,5-dien-1-one
CID 142171277
2,6-dimethoxycyclohexa-2,5-diene-1,4-dione;hydrochloride
CID 172805370
2,3-dimethoxy-7-methylcyclohepta-1,3,5-triene
CID 170731638
2-methoxy-4-sulfanylcyclopent-2-en-1-one
CID 18736371
(2R,6S)-4,6-dimethoxy-2-methyl-2H-pyran-5-one
CID 170990689
(7R,8R)-3-methoxy-7,8-dimethylbicyclo[4.2.0]oct-3-ene-2,5-dione
CID 5314441
2,6-dimethoxy-4-propylidenecyclohexa-2,5-dien-1-one
CID 11084737
3-methoxy-1,2,5-trimethylcyclohexa-1,3-diene
CID 19956540
6-methoxycyclohex-5-ene-1,2,4-trione
CID 123691379
2,3-dimethoxynaphthalene-1,4-dione;ethane
CID 144726564
(5E,6E)-5,6-di(ethylidene)-4-methoxycyclohex-3-ene-1,2-dione
CID 89131286
4-[3-[(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-4-hydroxy-2-(hydroxymethyl)butylidene]-2,6-dimethoxycyclohexa-2,5-dien-1-one
CID 72826079

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-methylcyclohexa-2,5-dien-1-one?
The IUPAC name of 2,6-dimethoxy-4-methylcyclohexa-2,5-dien-1-one (CID 142171284) is 2,6-dimethoxy-4-methylcyclohexa-2,5-dien-1-one.
What is the SMILES notation for 2,6-dimethoxy-4-methylcyclohexa-2,5-dien-1-one?
The canonical SMILES for 2,6-dimethoxy-4-methylcyclohexa-2,5-dien-1-one is COC1=CC(C)C=C(OC)C1=O.
What is the InChIKey of 2,6-dimethoxy-4-methylcyclohexa-2,5-dien-1-one?
The InChIKey is DAGNGTPBDUQXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c1-6-4-7(11-2)9(10)8(5-6)12-3/h4-6H,1-3H3.
What are the key properties of 2,6-dimethoxy-4-methylcyclohexa-2,5-dien-1-one?
2,6-dimethoxy-4-methylcyclohexa-2,5-dien-1-one has a molecular weight of 168.19 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-methylcyclohexa-2,5-dien-1-one is sourced from PubChem (CID 142171284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).