4-methylsulfonylcyclohexa-1,5-dien-1-ol

C7H10O3S — CID 154518025

IUPAC4-methylsulfonylcyclohexa-1,5-dien-1-ol
SMILESCS(=O)(=O)C1C=CC(O)=CC1
InChIInChI=1S/C7H10O3S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-4,7-8H,5H2,1H3
InChIKeyMHLXGQRMQOMVJU-UHFFFAOYSA-N
MW174.22 g/mol
LogP0.80
Rot. Bonds1

About 4-methylsulfonylcyclohexa-1,5-dien-1-ol

4-methylsulfonylcyclohexa-1,5-dien-1-ol (PubChem CID 154518025) has the molecular formula C7H10O3S and a molecular weight of 174.22 g/mol. Its IUPAC name is 4-methylsulfonylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name4-methylsulfonylcyclohexa-1,5-dien-1-ol
PubChem CID154518025
Molecular FormulaC7H10O3S
Molecular Weight174.22 g/mol
Exact Mass174.04
IUPAC Name4-methylsulfonylcyclohexa-1,5-dien-1-ol
SMILESCS(=O)(=O)C1C=CC(O)=CC1
InChIInChI=1S/C7H10O3S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-4,7-8H,5H2,1H3
InChIKeyMHLXGQRMQOMVJU-UHFFFAOYSA-N
XLogP0.80
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 4-methylsulfonylcyclohexa-1,5-dien-1-ol (CID 154518025) is 4-methylsulfonylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 4-methylsulfonylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 4-methylsulfonylcyclohexa-1,5-dien-1-ol is CS(=O)(=O)C1C=CC(O)=CC1.
What is the InChIKey of 4-methylsulfonylcyclohexa-1,5-dien-1-ol?
The InChIKey is MHLXGQRMQOMVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-4,7-8H,5H2,1H3.
What are the key properties of 4-methylsulfonylcyclohexa-1,5-dien-1-ol?
4-methylsulfonylcyclohexa-1,5-dien-1-ol has a molecular weight of 174.22 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 154518025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).