ethane;4-(4-ethenoxyphenyl)sulfonylcyclohexa-1,5-dien-1-ol

C16H20O4S — CID 144527060

IUPACethane;4-(4-ethenoxyphenyl)sulfonylcyclohexa-1,5-dien-1-ol
SMILESC=COc1ccc(S(=O)(=O)C2C=CC(O)=CC2)cc1.CC
InChIInChI=1S/C14H14O4S.C2H6/c1-2-18-12-5-9-14(10-6-12)19(16,17)13-7-3-11(15)4-8-13;1-2/h2-7,9-10,13,15H,1,8H2;1-2H3
InChIKeyFMIGDQSDYSLZAL-UHFFFAOYSA-N
MW308.40 g/mol
LogP3.78
Rot. Bonds4

About ethane;4-(4-ethenoxyphenyl)sulfonylcyclohexa-1,5-dien-1-ol

ethane;4-(4-ethenoxyphenyl)sulfonylcyclohexa-1,5-dien-1-ol (PubChem CID 144527060) has the molecular formula C16H20O4S and a molecular weight of 308.40 g/mol. Its IUPAC name is ethane;4-(4-ethenoxyphenyl)sulfonylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Nameethane;4-(4-ethenoxyphenyl)sulfonylcyclohexa-1,5-dien-1-ol
PubChem CID144527060
Molecular FormulaC16H20O4S
Molecular Weight308.40 g/mol
Exact Mass308.11
IUPAC Nameethane;4-(4-ethenoxyphenyl)sulfonylcyclohexa-1,5-dien-1-ol
SMILESC=COc1ccc(S(=O)(=O)C2C=CC(O)=CC2)cc1.CC
InChIInChI=1S/C14H14O4S.C2H6/c1-2-18-12-5-9-14(10-6-12)19(16,17)13-7-3-11(15)4-8-13;1-2/h2-7,9-10,13,15H,1,8H2;1-2H3
InChIKeyFMIGDQSDYSLZAL-UHFFFAOYSA-N
XLogP3.78
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;4-(4-ethenoxyphenyl)sulfonylcyclohexa-1,5-dien-1-ol?
The IUPAC name of ethane;4-(4-ethenoxyphenyl)sulfonylcyclohexa-1,5-dien-1-ol (CID 144527060) is ethane;4-(4-ethenoxyphenyl)sulfonylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for ethane;4-(4-ethenoxyphenyl)sulfonylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for ethane;4-(4-ethenoxyphenyl)sulfonylcyclohexa-1,5-dien-1-ol is C=COc1ccc(S(=O)(=O)C2C=CC(O)=CC2)cc1.CC.
What is the InChIKey of ethane;4-(4-ethenoxyphenyl)sulfonylcyclohexa-1,5-dien-1-ol?
The InChIKey is FMIGDQSDYSLZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4S.C2H6/c1-2-18-12-5-9-14(10-6-12)19(16,17)13-7-3-11(15)4-8-13;1-2/h2-7,9-10,13,15H,1,8H2;1-2H3.
What are the key properties of ethane;4-(4-ethenoxyphenyl)sulfonylcyclohexa-1,5-dien-1-ol?
ethane;4-(4-ethenoxyphenyl)sulfonylcyclohexa-1,5-dien-1-ol has a molecular weight of 308.40 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(4-ethenoxyphenyl)sulfonylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 144527060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).