1-(1,6-dihydroxycyclohexa-2,4-dien-1-yl)sulfonylcyclohexa-3,5-diene-1,2-diol

C12H14O6S — CID 158137353

IUPAC1-(1,6-dihydroxycyclohexa-2,4-dien-1-yl)sulfonylcyclohexa-3,5-diene-1,2-diol
SMILESO=S(=O)(C1(O)C=CC=CC1O)C1(O)C=CC=CC1O
InChIInChI=1S/C12H14O6S/c13-9-5-1-3-7-11(9,15)19(17,18)12(16)8-4-2-6-10(12)14/h1-10,13-16H
InChIKeyFTMURGMXCGWUQL-UHFFFAOYSA-N
MW286.31 g/mol
LogP-1.25
Rot. Bonds2

About 1-(1,6-dihydroxycyclohexa-2,4-dien-1-yl)sulfonylcyclohexa-3,5-diene-1,2-diol

1-(1,6-dihydroxycyclohexa-2,4-dien-1-yl)sulfonylcyclohexa-3,5-diene-1,2-diol (PubChem CID 158137353) has the molecular formula C12H14O6S and a molecular weight of 286.31 g/mol. Its IUPAC name is 1-(1,6-dihydroxycyclohexa-2,4-dien-1-yl)sulfonylcyclohexa-3,5-diene-1,2-diol.

Molecular Properties

Compound Name1-(1,6-dihydroxycyclohexa-2,4-dien-1-yl)sulfonylcyclohexa-3,5-diene-1,2-diol
PubChem CID158137353
Molecular FormulaC12H14O6S
Molecular Weight286.31 g/mol
Exact Mass286.05
IUPAC Name1-(1,6-dihydroxycyclohexa-2,4-dien-1-yl)sulfonylcyclohexa-3,5-diene-1,2-diol
SMILESO=S(=O)(C1(O)C=CC=CC1O)C1(O)C=CC=CC1O
InChIInChI=1S/C12H14O6S/c13-9-5-1-3-7-11(9,15)19(17,18)12(16)8-4-2-6-10(12)14/h1-10,13-16H
InChIKeyFTMURGMXCGWUQL-UHFFFAOYSA-N
XLogP-1.25
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 5-1.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4,4-Dihydroxyphenyl sulfone
CID 67530283
4-(3,4,4-Trihydroxycyclohexa-1,5-dien-1-yl)sulfinylcyclohexa-3,5-diene-1,1,2-triol
CID 67820682
4-(3,4,4-Trihydroxycyclohexa-1,5-dien-1-yl)sulfonylcyclohexa-3,5-diene-1,1,2-triol
CID 67821005
1-(1,4-Dihydroxycyclohexa-2,5-dien-1-yl)sulfonylcyclohexa-2,5-diene-1,4-diol
CID 68009399
4-(1,4-Dihydroxycyclohexa-2,4-dien-1-yl)sulfonylcyclohexa-1,5-diene-1,4-diol
CID 68009400
6-(6-Hydroxy-1-methylcyclohexa-2,4-dien-1-yl)sulfonyl-6-methylcyclohexa-2,4-dien-1-ol
CID 70250338
1,6-Dihydroxycyclohexa-2,4-diene-1-sulfonic acid
CID 88374621
1,4,6-Trihydroxycyclohexa-2,4-diene-1-sulfonic acid
CID 88479348
1-(1,5,6-Trihydroxycyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-3,5-diene-1,2,3-triol
CID 137370403
4-(4-Hydroxy-3-methylidenecyclohexa-1,5-dien-1-yl)sulfonyl-6-methylidenecyclohexa-2,4-dien-1-ol
CID 141036187
6-Methoxy-1-methylsulfonylcyclohexa-2,4-dien-1-ol
CID 141314963
1-(1,6-Dihydroxy-4-methylcyclohexa-2,4-dien-1-yl)sulfonyl-4-methylcyclohexa-3,5-diene-1,2-diol
CID 150461636

Frequently Asked Questions

What is the IUPAC name of 1-(1,6-dihydroxycyclohexa-2,4-dien-1-yl)sulfonylcyclohexa-3,5-diene-1,2-diol?
The IUPAC name of 1-(1,6-dihydroxycyclohexa-2,4-dien-1-yl)sulfonylcyclohexa-3,5-diene-1,2-diol (CID 158137353) is 1-(1,6-dihydroxycyclohexa-2,4-dien-1-yl)sulfonylcyclohexa-3,5-diene-1,2-diol.
What is the SMILES notation for 1-(1,6-dihydroxycyclohexa-2,4-dien-1-yl)sulfonylcyclohexa-3,5-diene-1,2-diol?
The canonical SMILES for 1-(1,6-dihydroxycyclohexa-2,4-dien-1-yl)sulfonylcyclohexa-3,5-diene-1,2-diol is O=S(=O)(C1(O)C=CC=CC1O)C1(O)C=CC=CC1O.
What is the InChIKey of 1-(1,6-dihydroxycyclohexa-2,4-dien-1-yl)sulfonylcyclohexa-3,5-diene-1,2-diol?
The InChIKey is FTMURGMXCGWUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O6S/c13-9-5-1-3-7-11(9,15)19(17,18)12(16)8-4-2-6-10(12)14/h1-10,13-16H.
What are the key properties of 1-(1,6-dihydroxycyclohexa-2,4-dien-1-yl)sulfonylcyclohexa-3,5-diene-1,2-diol?
1-(1,6-dihydroxycyclohexa-2,4-dien-1-yl)sulfonylcyclohexa-3,5-diene-1,2-diol has a molecular weight of 286.31 g/mol, XLogP of -1.25, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,6-dihydroxycyclohexa-2,4-dien-1-yl)sulfonylcyclohexa-3,5-diene-1,2-diol is sourced from PubChem (CID 158137353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).