1-(4-methylphenyl)-2-[(E)-2-phenylethenyl]sulfonylethanol

C17H18O3S — CID 101385731

IUPAC1-(4-methylphenyl)-2-[(E)-2-phenylethenyl]sulfonylethanol
SMILESCc1ccc(C(O)CS(=O)(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C17H18O3S/c1-14-7-9-16(10-8-14)17(18)13-21(19,20)12-11-15-5-3-2-4-6-15/h2-12,17-18H,13H2,1H3/b12-11+
InChIKeyGVVOXTNZXHUDPY-VAWYXSNFSA-N
MW302.40 g/mol
LogP3.11
Rot. Bonds5

About 1-(4-methylphenyl)-2-[(E)-2-phenylethenyl]sulfonylethanol

1-(4-methylphenyl)-2-[(E)-2-phenylethenyl]sulfonylethanol (PubChem CID 101385731) has the molecular formula C17H18O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-[(E)-2-phenylethenyl]sulfonylethanol.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-[(E)-2-phenylethenyl]sulfonylethanol
PubChem CID101385731
Molecular FormulaC17H18O3S
Molecular Weight302.40 g/mol
Exact Mass302.10
IUPAC Name1-(4-methylphenyl)-2-[(E)-2-phenylethenyl]sulfonylethanol
SMILESCc1ccc(C(O)CS(=O)(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C17H18O3S/c1-14-7-9-16(10-8-14)17(18)13-21(19,20)12-11-15-5-3-2-4-6-15/h2-12,17-18H,13H2,1H3/b12-11+
InChIKeyGVVOXTNZXHUDPY-VAWYXSNFSA-N
XLogP3.11
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzylsulfonyl-1-(4-methylphenyl)ethanol
CID 111472432
[4-[(Z)-1-hydroxy-4-phenylbut-3-enyl]phenyl] 4-methylbenzenesulfonate
CID 102435186
1-[(E)-2-benzylsulfonylethenyl]-4-methylbenzene
CID 13164860
2-(2-chlorophenyl)sulfonyl-1-(4-methylphenyl)ethanol
CID 106585066
1-(3,5-dimethylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfonylethanol
CID 111472416
1-hydroxy-1-(4-methylphenyl)-4-phenylbut-3-en-2-one
CID 4661079
[(E)-2-phenylethenyl] 4-methylbenzenesulfonate
CID 42643365
1-(4-methylphenyl)-2-(3-methylphenyl)sulfonylethanol
CID 106585286
(3E,6E)-7-(4-methylphenyl)-1-phenylhepta-3,6-dien-1-ol
CID 162404587
(E)-5-(4-methylphenyl)-1-phenylhex-1-en-3-one
CID 6073038
(E)-N-ethyl-N-(4-methylphenyl)-2-phenylethenesulfonamide
CID 13264624
ethyl 2-phenylethenesulfonate;toluene
CID 162188336

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-[(E)-2-phenylethenyl]sulfonylethanol?
The IUPAC name of 1-(4-methylphenyl)-2-[(E)-2-phenylethenyl]sulfonylethanol (CID 101385731) is 1-(4-methylphenyl)-2-[(E)-2-phenylethenyl]sulfonylethanol.
What is the SMILES notation for 1-(4-methylphenyl)-2-[(E)-2-phenylethenyl]sulfonylethanol?
The canonical SMILES for 1-(4-methylphenyl)-2-[(E)-2-phenylethenyl]sulfonylethanol is Cc1ccc(C(O)CS(=O)(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-[(E)-2-phenylethenyl]sulfonylethanol?
The InChIKey is GVVOXTNZXHUDPY-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H18O3S/c1-14-7-9-16(10-8-14)17(18)13-21(19,20)12-11-15-5-3-2-4-6-15/h2-12,17-18H,13H2,1H3/b12-11+.
What are the key properties of 1-(4-methylphenyl)-2-[(E)-2-phenylethenyl]sulfonylethanol?
1-(4-methylphenyl)-2-[(E)-2-phenylethenyl]sulfonylethanol has a molecular weight of 302.40 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-[(E)-2-phenylethenyl]sulfonylethanol is sourced from PubChem (CID 101385731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).