6-[(4-methylphenyl)sulfonyl-phenylmethyl]cyclohexa-2,4-dien-1-ol

C20H20O3S — CID 138966369

IUPAC6-[(4-methylphenyl)sulfonyl-phenylmethyl]cyclohexa-2,4-dien-1-ol
SMILESCc1ccc(S(=O)(=O)C(c2ccccc2)C2C=CC=CC2O)cc1
InChIInChI=1S/C20H20O3S/c1-15-11-13-17(14-12-15)24(22,23)20(16-7-3-2-4-8-16)18-9-5-6-10-19(18)21/h2-14,18-21H,1H3
InChIKeyLWJUIDDKJGNUSX-UHFFFAOYSA-N
MW340.44 g/mol
LogP3.61
Rot. Bonds4

About 6-[(4-methylphenyl)sulfonyl-phenylmethyl]cyclohexa-2,4-dien-1-ol

6-[(4-methylphenyl)sulfonyl-phenylmethyl]cyclohexa-2,4-dien-1-ol (PubChem CID 138966369) has the molecular formula C20H20O3S and a molecular weight of 340.44 g/mol. Its IUPAC name is 6-[(4-methylphenyl)sulfonyl-phenylmethyl]cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-[(4-methylphenyl)sulfonyl-phenylmethyl]cyclohexa-2,4-dien-1-ol
PubChem CID138966369
Molecular FormulaC20H20O3S
Molecular Weight340.44 g/mol
Exact Mass340.11
IUPAC Name6-[(4-methylphenyl)sulfonyl-phenylmethyl]cyclohexa-2,4-dien-1-ol
SMILESCc1ccc(S(=O)(=O)C(c2ccccc2)C2C=CC=CC2O)cc1
InChIInChI=1S/C20H20O3S/c1-15-11-13-17(14-12-15)24(22,23)20(16-7-3-2-4-8-16)18-9-5-6-10-19(18)21/h2-14,18-21H,1H3
InChIKeyLWJUIDDKJGNUSX-UHFFFAOYSA-N
XLogP3.61
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[(4-methylphenyl)sulfonyl-phenylmethyl]cyclohexa-2,4-dien-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(S,E)-1-(2-(4-(4-fluorostyryl)phenylsulfonyl)phenyl)ethanol
CID 11545423
(E)-1-(2-(4-(4-fluorostyryl)phenylsulfonyl)phenyl)ethanol
CID 21099378
(3S,4R,5R)-3-butyl-3-ethyl-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6-benzothiepin-4-ol
CID 11595883
1-(4-Chlorophenyl)-3-[(4-methylphenyl)sulfonyl]-1-propanol
CID 4328843
6,6-Bis(4-fluorophenyl)-5-(4-methylsulfonylphenyl)hex-5-en-1-ol
CID 155568868
1-Phenyl-2-(phenylsulfinyl)ethanol
CID 288472
1-[2-(4-Hydroxymethylphenyl)cyclopenten-1-yl]-4-(methylsulfonyl)benzene
CID 10426661
(3S,4S,5S)-3-butyl-3-ethyl-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6-benzothiepin-4-ol
CID 11538009
(3S,4S,5R)-3-butyl-3-ethyl-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6-benzothiepin-4-ol
CID 11639352
3-(4-Methanesulfonyl-phenyl)-4,4-dimethyl-2-phenyl-cyclobut-2-enol
CID 18969768
(1R)-1-(4-methanesulfonylphenyl)ethan-1-ol
CID 25324440
5,5-Bis(4-fluorophenyl)-4-(4-methylsulfonylphenyl)pent-4-en-1-ol
CID 155519218

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylphenyl)sulfonyl-phenylmethyl]cyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-[(4-methylphenyl)sulfonyl-phenylmethyl]cyclohexa-2,4-dien-1-ol (CID 138966369) is 6-[(4-methylphenyl)sulfonyl-phenylmethyl]cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-[(4-methylphenyl)sulfonyl-phenylmethyl]cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-[(4-methylphenyl)sulfonyl-phenylmethyl]cyclohexa-2,4-dien-1-ol is Cc1ccc(S(=O)(=O)C(c2ccccc2)C2C=CC=CC2O)cc1.
What is the InChIKey of 6-[(4-methylphenyl)sulfonyl-phenylmethyl]cyclohexa-2,4-dien-1-ol?
The InChIKey is LWJUIDDKJGNUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O3S/c1-15-11-13-17(14-12-15)24(22,23)20(16-7-3-2-4-8-16)18-9-5-6-10-19(18)21/h2-14,18-21H,1H3.
What are the key properties of 6-[(4-methylphenyl)sulfonyl-phenylmethyl]cyclohexa-2,4-dien-1-ol?
6-[(4-methylphenyl)sulfonyl-phenylmethyl]cyclohexa-2,4-dien-1-ol has a molecular weight of 340.44 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylphenyl)sulfonyl-phenylmethyl]cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 138966369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).