[2-(4-ethylphenyl)-1-(hydroxymethyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanol

C20H24O4S — CID 102570239

IUPAC[2-(4-ethylphenyl)-1-(hydroxymethyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanol
SMILESCCc1ccc(C2C(S(=O)(=O)c3ccc(C)cc3)C2(CO)CO)cc1
InChIInChI=1S/C20H24O4S/c1-3-15-6-8-16(9-7-15)18-19(20(18,12-21)13-22)25(23,24)17-10-4-14(2)5-11-17/h4-11,18-19,21-22H,3,12-13H2,1-2H3
InChIKeyQQPZBFLRJJWFDG-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.47
Rot. Bonds6

About [2-(4-ethylphenyl)-1-(hydroxymethyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanol

[2-(4-ethylphenyl)-1-(hydroxymethyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanol (PubChem CID 102570239) has the molecular formula C20H24O4S and a molecular weight of 360.48 g/mol. Its IUPAC name is [2-(4-ethylphenyl)-1-(hydroxymethyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanol.

Molecular Properties

Compound Name[2-(4-ethylphenyl)-1-(hydroxymethyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanol
PubChem CID102570239
Molecular FormulaC20H24O4S
Molecular Weight360.48 g/mol
Exact Mass360.14
IUPAC Name[2-(4-ethylphenyl)-1-(hydroxymethyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanol
SMILESCCc1ccc(C2C(S(=O)(=O)c3ccc(C)cc3)C2(CO)CO)cc1
InChIInChI=1S/C20H24O4S/c1-3-15-6-8-16(9-7-15)18-19(20(18,12-21)13-22)25(23,24)17-10-4-14(2)5-11-17/h4-11,18-19,21-22H,3,12-13H2,1-2H3
InChIKeyQQPZBFLRJJWFDG-UHFFFAOYSA-N
XLogP2.47
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R,2R,3S)-1-(aminomethyl)-2-(4-chlorophenyl)sulfonyl-3-(4-methylphenyl)cyclopropyl]methanol
CID 124745800
(1R,2S,3S)-1-(aminomethyl)-2-(4-ethylphenyl)-3-(4-methylphenyl)sulfonylcyclopropane-1-carboxylic acid
CID 124747053
(1R,2S,3S)-1-(aminomethyl)-2-(4-ethylphenyl)-3-(4-methylphenyl)sulfonylcyclopropan-1-amine
CID 124858485
(1R,2S,3S)-1-amino-2-(4-ethylphenyl)-3-(4-methylphenyl)sulfonylcyclopropane-1-carbonitrile
CID 124748209
[2-(1,3-benzodioxol-5-yl)-1-(hydroxymethyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanol
CID 102569528
(1S,2S,3S)-2-(4-ethylphenyl)-1-(methoxymethyl)-3-(4-methylphenyl)sulfonylcyclopropane-1-carbonitrile
CID 124675682
1-(hydroxymethyl)-2-(4-methylphenyl)-3-(4-methylphenyl)sulfonylcyclopropane-1-carbonitrile
CID 102570046
(1R,2S,3R)-1-(ethoxymethyl)-2-(4-ethylphenyl)-3-(4-methylphenyl)sulfonylcyclopropane-1-carbonitrile
CID 124857857
[(1R,2R,3S)-2-(benzenesulfonyl)-3-(4-ethylphenyl)-1-(methoxymethyl)cyclopropyl]methanamine
CID 124746001
[(1R,2R,3S)-1-amino-2-(4-chlorophenyl)sulfonyl-3-(4-methylphenyl)cyclopropyl]methanol
CID 124859398
[(1R,2R,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-ethylphenyl)-1-(methoxymethyl)cyclopropyl]methanamine
CID 124859345
(1R,2R,3S)-2-(benzenesulfonyl)-1-(hydroxymethyl)-3-(4-methylphenyl)cyclopropane-1-carboxylic acid
CID 124746733

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylphenyl)-1-(hydroxymethyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanol?
The IUPAC name of [2-(4-ethylphenyl)-1-(hydroxymethyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanol (CID 102570239) is [2-(4-ethylphenyl)-1-(hydroxymethyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanol.
What is the SMILES notation for [2-(4-ethylphenyl)-1-(hydroxymethyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanol?
The canonical SMILES for [2-(4-ethylphenyl)-1-(hydroxymethyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanol is CCc1ccc(C2C(S(=O)(=O)c3ccc(C)cc3)C2(CO)CO)cc1.
What is the InChIKey of [2-(4-ethylphenyl)-1-(hydroxymethyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanol?
The InChIKey is QQPZBFLRJJWFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4S/c1-3-15-6-8-16(9-7-15)18-19(20(18,12-21)13-22)25(23,24)17-10-4-14(2)5-11-17/h4-11,18-19,21-22H,3,12-13H2,1-2H3.
What are the key properties of [2-(4-ethylphenyl)-1-(hydroxymethyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanol?
[2-(4-ethylphenyl)-1-(hydroxymethyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanol has a molecular weight of 360.48 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylphenyl)-1-(hydroxymethyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanol is sourced from PubChem (CID 102570239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).