2-methoxycyclohexa-2,4-dien-1-one

C7H8O2 — CID 11059438

IUPAC2-methoxycyclohexa-2,4-dien-1-one
SMILESCOC1=CC=CCC1=O
InChIInChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-3,5H,4H2,1H3
InChIKeyPJPHCNPBSPXFBV-UHFFFAOYSA-N
MW124.14 g/mol
LogP1.05
Rot. Bonds1

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

2-methoxycyclohexa-2,4-dien-1-one (PubChem CID 11059438) has the molecular formula C7H8O2 and a molecular weight of 124.14 g/mol. Its IUPAC name is 2-methoxycyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name2-methoxycyclohexa-2,4-dien-1-one
PubChem CID11059438
Molecular FormulaC7H8O2
Molecular Weight124.14 g/mol
Exact Mass124.05
IUPAC Name2-methoxycyclohexa-2,4-dien-1-one
SMILESCOC1=CC=CCC1=O
InChIInChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-3,5H,4H2,1H3
InChIKeyPJPHCNPBSPXFBV-UHFFFAOYSA-N
XLogP1.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methoxy-6-Methyl-1,4-Benzoquinone
CID 101355
2-Methoxy-2,4,6-cycloheptatrien-1-one
CID 16546
2,3,5-Trimethoxy-6-(1-Propenyl)-2,5-Cyclohexadiene-1,4-Dione
CID 10868332
2-Methoxy-4-allylidene-2,5-cyclohexadiene-1-one
CID 71448980
2,3,5-Trimethoxy-6-(prop-1-en-1-yl)cyclohexa-2,5-diene-1,4-dione
CID 71362855
3-Methoxy-2,5-dimethylcyclohexa-2,5-diene-1,4-dione
CID 12361066
4-Allylidene-2-methoxy-cyclohexa-2,5-dienone
CID 53715109
1-(3,4-dihydro-2H-pyran-6-yl)but-3-en-1-one
CID 101472974
(2E)-1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxypenta-2,4-dien-1-one
CID 134832027
3-Methoxy-[1,2]benzoquinone
CID 11105429
2-Methoxy-cyclohexa-2,5-dienone
CID 15348165
Acetoxy-cyclohexadienon
CID 18977843

Frequently Asked Questions

What is the IUPAC name of 2-methoxycyclohexa-2,4-dien-1-one?
The IUPAC name of 2-methoxycyclohexa-2,4-dien-1-one (CID 11059438) is 2-methoxycyclohexa-2,4-dien-1-one.
What is the SMILES notation for 2-methoxycyclohexa-2,4-dien-1-one?
The canonical SMILES for 2-methoxycyclohexa-2,4-dien-1-one is COC1=CC=CCC1=O.
What is the InChIKey of 2-methoxycyclohexa-2,4-dien-1-one?
The InChIKey is PJPHCNPBSPXFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-3,5H,4H2,1H3.
What are the key properties of 2-methoxycyclohexa-2,4-dien-1-one?
2-methoxycyclohexa-2,4-dien-1-one has a molecular weight of 124.14 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxycyclohexa-2,4-dien-1-one is sourced from PubChem (CID 11059438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).