6-methoxy-1-methylsulfonylcyclohexa-2,4-dien-1-ol

C8H12O4S — CID 141314963

IUPAC6-methoxy-1-methylsulfonylcyclohexa-2,4-dien-1-ol
SMILESCOC1C=CC=CC1(O)S(C)(=O)=O
InChIInChI=1S/C8H12O4S/c1-12-7-5-3-4-6-8(7,9)13(2,10)11/h3-7,9H,1-2H3
InChIKeyMNUHQYBQJKZGCY-UHFFFAOYSA-N
MW204.25 g/mol
LogP-0.14
Rot. Bonds2

About 6-methoxy-1-methylsulfonylcyclohexa-2,4-dien-1-ol

6-methoxy-1-methylsulfonylcyclohexa-2,4-dien-1-ol (PubChem CID 141314963) has the molecular formula C8H12O4S and a molecular weight of 204.25 g/mol. Its IUPAC name is 6-methoxy-1-methylsulfonylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-methoxy-1-methylsulfonylcyclohexa-2,4-dien-1-ol
PubChem CID141314963
Molecular FormulaC8H12O4S
Molecular Weight204.25 g/mol
Exact Mass204.05
IUPAC Name6-methoxy-1-methylsulfonylcyclohexa-2,4-dien-1-ol
SMILESCOC1C=CC=CC1(O)S(C)(=O)=O
InChIInChI=1S/C8H12O4S/c1-12-7-5-3-4-6-8(7,9)13(2,10)11/h3-7,9H,1-2H3
InChIKeyMNUHQYBQJKZGCY-UHFFFAOYSA-N
XLogP-0.14
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

o-Guajacolsulfosaure
CID 129638611
5,6-Dimethoxy-5-methylsulfonylcyclohexa-1,3-diene
CID 22161976
1-(1,6-Dihydroxycyclohexa-2,4-dien-1-yl)sulfonylcyclohexa-3,5-diene-1,2-diol
CID 158137353
1,2-Dimethoxy-4-methylsulfonylcyclohexa-3,5-diene-1,2-diol
CID 159805657
6-Hydroxy-1-prop-2-enoxycyclohexa-2,4-diene-1-sulfonic acid
CID 174835115
Potassium 1-hydroxy-6-methoxycyclohexa-2,4-diene-1-sulfonate
CID 177740686
(1S,2S)-3-ethylsulfonylcyclohexa-3,5-diene-1,2-diol
CID 11252695
(1S,2S)-3-methylsulfonylcyclohexa-3,5-diene-1,2-diol
CID 23248300
(1S,2S)-3-methylsulfinylcyclohexa-3,5-diene-1,2-diol
CID 23248301
(1S,2S)-3-[(R)-methylsulfinyl]cyclohexa-3,5-diene-1,2-diol
CID 129388405
(1S,2S)-3-[(S)-methylsulfinyl]cyclohexa-3,5-diene-1,2-diol
CID 129388406

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-methylsulfonylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-methoxy-1-methylsulfonylcyclohexa-2,4-dien-1-ol (CID 141314963) is 6-methoxy-1-methylsulfonylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-methoxy-1-methylsulfonylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-methoxy-1-methylsulfonylcyclohexa-2,4-dien-1-ol is COC1C=CC=CC1(O)S(C)(=O)=O.
What is the InChIKey of 6-methoxy-1-methylsulfonylcyclohexa-2,4-dien-1-ol?
The InChIKey is MNUHQYBQJKZGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O4S/c1-12-7-5-3-4-6-8(7,9)13(2,10)11/h3-7,9H,1-2H3.
What are the key properties of 6-methoxy-1-methylsulfonylcyclohexa-2,4-dien-1-ol?
6-methoxy-1-methylsulfonylcyclohexa-2,4-dien-1-ol has a molecular weight of 204.25 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-methylsulfonylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 141314963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).