5,6-dimethoxycyclohexa-2,4-dien-1-one

C8H10O3 — CID 141369105

IUPAC5,6-dimethoxycyclohexa-2,4-dien-1-one
SMILESCOC1=CC=CC(=O)C1OC
InChIInChI=1S/C8H10O3/c1-10-7-5-3-4-6(9)8(7)11-2/h3-5,8H,1-2H3
InChIKeyJIXQMMOFPSTMSN-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.67
Rot. Bonds2

About 5,6-dimethoxycyclohexa-2,4-dien-1-one

5,6-dimethoxycyclohexa-2,4-dien-1-one (PubChem CID 141369105) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 5,6-dimethoxycyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name5,6-dimethoxycyclohexa-2,4-dien-1-one
PubChem CID141369105
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name5,6-dimethoxycyclohexa-2,4-dien-1-one
SMILESCOC1=CC=CC(=O)C1OC
InChIInChI=1S/C8H10O3/c1-10-7-5-3-4-6(9)8(7)11-2/h3-5,8H,1-2H3
InChIKeyJIXQMMOFPSTMSN-UHFFFAOYSA-N
XLogP0.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-6-methoxy-1-oxaspiro[2.5]octa-5,7-dien-4-one
CID 44424554
6-Methoxycyclohexa-2,4-dienone
CID 20030810
3,4-Dimethoxycyclohexa-3,5-diene-1,2-dione
CID 21521484
2,4-Cyclohexadien-1-one, 5,6,6-trimethoxy-
CID 11401166
3,5-Dimethoxycyclohexa-3,5-diene-1,2-dione
CID 12294695
6-Ethoxycyclohexadienone
CID 129821929
2,3,4-Trimethoxycyclohexa-2,5-dien-1-one
CID 134986455
5-ethoxy-2-methyl-2H-pyran-3(6H)-one
CID 18001005
6-Methoxy-1-oxaspiro[2.5]octa-5,7-dien-4-one
CID 24973601
3,4-Diethoxycyclohexa-3,5-diene-1,2-dione
CID 54165676
2,4-Dimethoxycyclohexa-2,4-dien-1-one
CID 54235147
2-Methyl-6-methylidenepyran-3-one
CID 60119389

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxycyclohexa-2,4-dien-1-one?
The IUPAC name of 5,6-dimethoxycyclohexa-2,4-dien-1-one (CID 141369105) is 5,6-dimethoxycyclohexa-2,4-dien-1-one.
What is the SMILES notation for 5,6-dimethoxycyclohexa-2,4-dien-1-one?
The canonical SMILES for 5,6-dimethoxycyclohexa-2,4-dien-1-one is COC1=CC=CC(=O)C1OC.
What is the InChIKey of 5,6-dimethoxycyclohexa-2,4-dien-1-one?
The InChIKey is JIXQMMOFPSTMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-10-7-5-3-4-6(9)8(7)11-2/h3-5,8H,1-2H3.
What are the key properties of 5,6-dimethoxycyclohexa-2,4-dien-1-one?
5,6-dimethoxycyclohexa-2,4-dien-1-one has a molecular weight of 154.16 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxycyclohexa-2,4-dien-1-one is sourced from PubChem (CID 141369105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).