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

C8H10O3 — CID 54235147

IUPAC2,4-dimethoxycyclohexa-2,4-dien-1-one
SMILESCOC1=CCC(=O)C(OC)=C1
InChIInChI=1S/C8H10O3/c1-10-6-3-4-7(9)8(5-6)11-2/h3,5H,4H2,1-2H3
InChIKeyCUNIEFFBDCOVDV-UHFFFAOYSA-N
MW154.16 g/mol
LogP1.02
Rot. Bonds2

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

2,4-dimethoxycyclohexa-2,4-dien-1-one (PubChem CID 54235147) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 2,4-dimethoxycyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name2,4-dimethoxycyclohexa-2,4-dien-1-one
PubChem CID54235147
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name2,4-dimethoxycyclohexa-2,4-dien-1-one
SMILESCOC1=CCC(=O)C(OC)=C1
InChIInChI=1S/C8H10O3/c1-10-6-3-4-7(9)8(5-6)11-2/h3,5H,4H2,1-2H3
InChIKeyCUNIEFFBDCOVDV-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxycyclohexa-2,4-dien-1-one?
The IUPAC name of 2,4-dimethoxycyclohexa-2,4-dien-1-one (CID 54235147) is 2,4-dimethoxycyclohexa-2,4-dien-1-one.
What is the SMILES notation for 2,4-dimethoxycyclohexa-2,4-dien-1-one?
The canonical SMILES for 2,4-dimethoxycyclohexa-2,4-dien-1-one is COC1=CCC(=O)C(OC)=C1.
What is the InChIKey of 2,4-dimethoxycyclohexa-2,4-dien-1-one?
The InChIKey is CUNIEFFBDCOVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-10-6-3-4-7(9)8(5-6)11-2/h3,5H,4H2,1-2H3.
What are the key properties of 2,4-dimethoxycyclohexa-2,4-dien-1-one?
2,4-dimethoxycyclohexa-2,4-dien-1-one has a molecular weight of 154.16 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxycyclohexa-2,4-dien-1-one is sourced from PubChem (CID 54235147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).