1-(1-hydroxy-5-methylcyclohexa-2,4-dien-1-yl)sulfonyl-5-methylcyclohexa-2,4-dien-1-ol

C14H18O4S — CID 154170197

IUPAC1-(1-hydroxy-5-methylcyclohexa-2,4-dien-1-yl)sulfonyl-5-methylcyclohexa-2,4-dien-1-ol
SMILESCC1=CC=CC(O)(S(=O)(=O)C2(O)C=CC=C(C)C2)C1
InChIInChI=1S/C14H18O4S/c1-11-5-3-7-13(15,9-11)19(17,18)14(16)8-4-6-12(2)10-14/h3-8,15-16H,9-10H2,1-2H3
InChIKeyNXZUGZCLDHTAML-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.59
Rot. Bonds2

About 1-(1-hydroxy-5-methylcyclohexa-2,4-dien-1-yl)sulfonyl-5-methylcyclohexa-2,4-dien-1-ol

1-(1-hydroxy-5-methylcyclohexa-2,4-dien-1-yl)sulfonyl-5-methylcyclohexa-2,4-dien-1-ol (PubChem CID 154170197) has the molecular formula C14H18O4S and a molecular weight of 282.36 g/mol. Its IUPAC name is 1-(1-hydroxy-5-methylcyclohexa-2,4-dien-1-yl)sulfonyl-5-methylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1-(1-hydroxy-5-methylcyclohexa-2,4-dien-1-yl)sulfonyl-5-methylcyclohexa-2,4-dien-1-ol
PubChem CID154170197
Molecular FormulaC14H18O4S
Molecular Weight282.36 g/mol
Exact Mass282.09
IUPAC Name1-(1-hydroxy-5-methylcyclohexa-2,4-dien-1-yl)sulfonyl-5-methylcyclohexa-2,4-dien-1-ol
SMILESCC1=CC=CC(O)(S(=O)(=O)C2(O)C=CC=C(C)C2)C1
InChIInChI=1S/C14H18O4S/c1-11-5-3-7-13(15,9-11)19(17,18)14(16)8-4-6-12(2)10-14/h3-8,15-16H,9-10H2,1-2H3
InChIKeyNXZUGZCLDHTAML-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-5-methylcyclohexa-2,4-dien-1-yl)sulfonyl-5-methylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 1-(1-hydroxy-5-methylcyclohexa-2,4-dien-1-yl)sulfonyl-5-methylcyclohexa-2,4-dien-1-ol (CID 154170197) is 1-(1-hydroxy-5-methylcyclohexa-2,4-dien-1-yl)sulfonyl-5-methylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1-(1-hydroxy-5-methylcyclohexa-2,4-dien-1-yl)sulfonyl-5-methylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1-(1-hydroxy-5-methylcyclohexa-2,4-dien-1-yl)sulfonyl-5-methylcyclohexa-2,4-dien-1-ol is CC1=CC=CC(O)(S(=O)(=O)C2(O)C=CC=C(C)C2)C1.
What is the InChIKey of 1-(1-hydroxy-5-methylcyclohexa-2,4-dien-1-yl)sulfonyl-5-methylcyclohexa-2,4-dien-1-ol?
The InChIKey is NXZUGZCLDHTAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4S/c1-11-5-3-7-13(15,9-11)19(17,18)14(16)8-4-6-12(2)10-14/h3-8,15-16H,9-10H2,1-2H3.
What are the key properties of 1-(1-hydroxy-5-methylcyclohexa-2,4-dien-1-yl)sulfonyl-5-methylcyclohexa-2,4-dien-1-ol?
1-(1-hydroxy-5-methylcyclohexa-2,4-dien-1-yl)sulfonyl-5-methylcyclohexa-2,4-dien-1-ol has a molecular weight of 282.36 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-5-methylcyclohexa-2,4-dien-1-yl)sulfonyl-5-methylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 154170197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).