6-(6-hydroxy-1-methylcyclohexa-2,4-dien-1-yl)sulfonyl-6-methylcyclohexa-2,4-dien-1-ol

C14H18O4S — CID 70250338

IUPAC6-(6-hydroxy-1-methylcyclohexa-2,4-dien-1-yl)sulfonyl-6-methylcyclohexa-2,4-dien-1-ol
SMILESCC1(S(=O)(=O)C2(C)C=CC=CC2O)C=CC=CC1O
InChIInChI=1S/C14H18O4S/c1-13(9-5-3-7-11(13)15)19(17,18)14(2)10-6-4-8-12(14)16/h3-12,15-16H,1-2H3
InChIKeyKOKGFHYBEJHTFB-UHFFFAOYSA-N
MW282.36 g/mol
LogP0.89
Rot. Bonds2

About 6-(6-hydroxy-1-methylcyclohexa-2,4-dien-1-yl)sulfonyl-6-methylcyclohexa-2,4-dien-1-ol

6-(6-hydroxy-1-methylcyclohexa-2,4-dien-1-yl)sulfonyl-6-methylcyclohexa-2,4-dien-1-ol (PubChem CID 70250338) has the molecular formula C14H18O4S and a molecular weight of 282.36 g/mol. Its IUPAC name is 6-(6-hydroxy-1-methylcyclohexa-2,4-dien-1-yl)sulfonyl-6-methylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-(6-hydroxy-1-methylcyclohexa-2,4-dien-1-yl)sulfonyl-6-methylcyclohexa-2,4-dien-1-ol
PubChem CID70250338
Molecular FormulaC14H18O4S
Molecular Weight282.36 g/mol
Exact Mass282.09
IUPAC Name6-(6-hydroxy-1-methylcyclohexa-2,4-dien-1-yl)sulfonyl-6-methylcyclohexa-2,4-dien-1-ol
SMILESCC1(S(=O)(=O)C2(C)C=CC=CC2O)C=CC=CC1O
InChIInChI=1S/C14H18O4S/c1-13(9-5-3-7-11(13)15)19(17,18)14(2)10-6-4-8-12(14)16/h3-12,15-16H,1-2H3
InChIKeyKOKGFHYBEJHTFB-UHFFFAOYSA-N
XLogP0.89
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(6-hydroxy-1-methylcyclohexa-2,4-dien-1-yl)sulfonyl-6-methylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-(6-hydroxy-1-methylcyclohexa-2,4-dien-1-yl)sulfonyl-6-methylcyclohexa-2,4-dien-1-ol (CID 70250338) is 6-(6-hydroxy-1-methylcyclohexa-2,4-dien-1-yl)sulfonyl-6-methylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-(6-hydroxy-1-methylcyclohexa-2,4-dien-1-yl)sulfonyl-6-methylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-(6-hydroxy-1-methylcyclohexa-2,4-dien-1-yl)sulfonyl-6-methylcyclohexa-2,4-dien-1-ol is CC1(S(=O)(=O)C2(C)C=CC=CC2O)C=CC=CC1O.
What is the InChIKey of 6-(6-hydroxy-1-methylcyclohexa-2,4-dien-1-yl)sulfonyl-6-methylcyclohexa-2,4-dien-1-ol?
The InChIKey is KOKGFHYBEJHTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4S/c1-13(9-5-3-7-11(13)15)19(17,18)14(2)10-6-4-8-12(14)16/h3-12,15-16H,1-2H3.
What are the key properties of 6-(6-hydroxy-1-methylcyclohexa-2,4-dien-1-yl)sulfonyl-6-methylcyclohexa-2,4-dien-1-ol?
6-(6-hydroxy-1-methylcyclohexa-2,4-dien-1-yl)sulfonyl-6-methylcyclohexa-2,4-dien-1-ol has a molecular weight of 282.36 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-hydroxy-1-methylcyclohexa-2,4-dien-1-yl)sulfonyl-6-methylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 70250338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).