[6-(benzenesulfonyl)cyclohexa-2,4-dien-1-yl]-diphenylmethanol

C25H22O3S — CID 134112684

IUPAC[6-(benzenesulfonyl)cyclohexa-2,4-dien-1-yl]-diphenylmethanol
SMILESO=S(=O)(c1ccccc1)C1C=CC=CC1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H22O3S/c26-25(20-12-4-1-5-13-20,21-14-6-2-7-15-21)23-18-10-11-19-24(23)29(27,28)22-16-8-3-9-17-22/h1-19,23-24,26H
InChIKeyDAIDHUXNJONHIG-UHFFFAOYSA-N
MW402.52 g/mol
LogP4.51
Rot. Bonds5

About [6-(benzenesulfonyl)cyclohexa-2,4-dien-1-yl]-diphenylmethanol

[6-(benzenesulfonyl)cyclohexa-2,4-dien-1-yl]-diphenylmethanol (PubChem CID 134112684) has the molecular formula C25H22O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is [6-(benzenesulfonyl)cyclohexa-2,4-dien-1-yl]-diphenylmethanol.

Molecular Properties

Compound Name[6-(benzenesulfonyl)cyclohexa-2,4-dien-1-yl]-diphenylmethanol
PubChem CID134112684
Molecular FormulaC25H22O3S
Molecular Weight402.52 g/mol
Exact Mass402.13
IUPAC Name[6-(benzenesulfonyl)cyclohexa-2,4-dien-1-yl]-diphenylmethanol
SMILESO=S(=O)(c1ccccc1)C1C=CC=CC1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H22O3S/c26-25(20-12-4-1-5-13-20,21-14-6-2-7-15-21)23-18-10-11-19-24(23)29(27,28)22-16-8-3-9-17-22/h1-19,23-24,26H
InChIKeyDAIDHUXNJONHIG-UHFFFAOYSA-N
XLogP4.51
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2R,5S)-2-(benzenesulfonyl)-5-methylcyclohex-3-en-1-ol
CID 71025902
1-cyclopenta-2,4-dien-1-yl-1-phenylethanol
CID 12574787
2-(benzenesulfonyl)-1,1-diphenylprop-2-en-1-ol
CID 139779830
(2S,3S)-2-(benzenesulfonyl)-3-(trifluoromethyl)oxirane
CID 97110826
[(2S)-2-(benzenesulfonyl)-1-(hydroxymethyl)cyclopropyl]methanol
CID 99999155
(2S,3S)-2-(benzenesulfonyl)-3-tert-butyloxirane
CID 101169297
2-(benzenesulfonyl)-2H-azirine
CID 149051193
[(1R,2S,3R)-2-(benzenesulfonyl)-3-(trifluoromethyl)cyclopropyl]-phenylmethanone
CID 54577912
4-(benzenesulfonyl)-3-tritylazetidin-2-one
CID 70468013
3-(benzenesulfonyl)-2,2-diethyloxirane
CID 14532903
4-(benzenesulfonyl)-3-(2-hydroxypropan-2-yl)azetidin-2-one
CID 70551289
benzenesulfonic acid;2,3-dihydroxy-1,2-diphenylpropan-1-one
CID 174475774

Frequently Asked Questions

What is the IUPAC name of [6-(benzenesulfonyl)cyclohexa-2,4-dien-1-yl]-diphenylmethanol?
The IUPAC name of [6-(benzenesulfonyl)cyclohexa-2,4-dien-1-yl]-diphenylmethanol (CID 134112684) is [6-(benzenesulfonyl)cyclohexa-2,4-dien-1-yl]-diphenylmethanol.
What is the SMILES notation for [6-(benzenesulfonyl)cyclohexa-2,4-dien-1-yl]-diphenylmethanol?
The canonical SMILES for [6-(benzenesulfonyl)cyclohexa-2,4-dien-1-yl]-diphenylmethanol is O=S(=O)(c1ccccc1)C1C=CC=CC1C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [6-(benzenesulfonyl)cyclohexa-2,4-dien-1-yl]-diphenylmethanol?
The InChIKey is DAIDHUXNJONHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22O3S/c26-25(20-12-4-1-5-13-20,21-14-6-2-7-15-21)23-18-10-11-19-24(23)29(27,28)22-16-8-3-9-17-22/h1-19,23-24,26H.
What are the key properties of [6-(benzenesulfonyl)cyclohexa-2,4-dien-1-yl]-diphenylmethanol?
[6-(benzenesulfonyl)cyclohexa-2,4-dien-1-yl]-diphenylmethanol has a molecular weight of 402.52 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(benzenesulfonyl)cyclohexa-2,4-dien-1-yl]-diphenylmethanol is sourced from PubChem (CID 134112684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).