(E)-2-(4-methylphenyl)sulfonyl-1-phenylbut-2-ene-1,4-diol

C17H18O4S — CID 14296283

IUPAC(E)-2-(4-methylphenyl)sulfonyl-1-phenylbut-2-ene-1,4-diol
SMILESCc1ccc(S(=O)(=O)/C(=C/CO)C(O)c2ccccc2)cc1
InChIInChI=1S/C17H18O4S/c1-13-7-9-15(10-8-13)22(20,21)16(11-12-18)17(19)14-5-3-2-4-6-14/h2-11,17-19H,12H2,1H3/b16-11+
InChIKeyARFQRSZQOZTDQV-LFIBNONCSA-N
MW318.39 g/mol
LogP2.38
Rot. Bonds5

About (E)-2-(4-methylphenyl)sulfonyl-1-phenylbut-2-ene-1,4-diol

(E)-2-(4-methylphenyl)sulfonyl-1-phenylbut-2-ene-1,4-diol (PubChem CID 14296283) has the molecular formula C17H18O4S and a molecular weight of 318.39 g/mol. Its IUPAC name is (E)-2-(4-methylphenyl)sulfonyl-1-phenylbut-2-ene-1,4-diol.

Molecular Properties

Compound Name(E)-2-(4-methylphenyl)sulfonyl-1-phenylbut-2-ene-1,4-diol
PubChem CID14296283
Molecular FormulaC17H18O4S
Molecular Weight318.39 g/mol
Exact Mass318.09
IUPAC Name(E)-2-(4-methylphenyl)sulfonyl-1-phenylbut-2-ene-1,4-diol
SMILESCc1ccc(S(=O)(=O)/C(=C/CO)C(O)c2ccccc2)cc1
InChIInChI=1S/C17H18O4S/c1-13-7-9-15(10-8-13)22(20,21)16(11-12-18)17(19)14-5-3-2-4-6-14/h2-11,17-19H,12H2,1H3/b16-11+
InChIKeyARFQRSZQOZTDQV-LFIBNONCSA-N
XLogP2.38
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
Rac-1,1,1-trifluoro-2-(4-(o-tolylsulfonyl)phenyl)propan-2-ol
CID 11515715
(E)-(2-(4-(4-fluorostyryl)phenylsulfonyl)phenyl)methanol
CID 11559695
2-[4-(2-Ethylbenzenesulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol
CID 52941221
Rac-1,1,1-trifluoro-2-(4-(phenylsulfonyl)phenyl)propan-2-ol
CID 52944762
Rac-2-(4-(2-tert-butylphenylsulfonyl)phenyl)-1,1,1-trifluoropropan-2-ol
CID 52946104
Rac-1,1,1-trifluoro-2-(4-(2-(trifluoromethyl)phenylsulfonyl)phenyl)propan-2-ol
CID 52949732
(2-Methanesulfonylphenyl)methanol
CID 22050773
2-Methanesulfonyl-1-phenylethan-1-ol
CID 220240
(3-Methanesulfonylphenyl)methanol
CID 23549738
1-(4-Chlorophenyl)-3-[(4-methylphenyl)sulfonyl]-1-propanol
CID 4328843

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-methylphenyl)sulfonyl-1-phenylbut-2-ene-1,4-diol?
The IUPAC name of (E)-2-(4-methylphenyl)sulfonyl-1-phenylbut-2-ene-1,4-diol (CID 14296283) is (E)-2-(4-methylphenyl)sulfonyl-1-phenylbut-2-ene-1,4-diol.
What is the SMILES notation for (E)-2-(4-methylphenyl)sulfonyl-1-phenylbut-2-ene-1,4-diol?
The canonical SMILES for (E)-2-(4-methylphenyl)sulfonyl-1-phenylbut-2-ene-1,4-diol is Cc1ccc(S(=O)(=O)/C(=C/CO)C(O)c2ccccc2)cc1.
What is the InChIKey of (E)-2-(4-methylphenyl)sulfonyl-1-phenylbut-2-ene-1,4-diol?
The InChIKey is ARFQRSZQOZTDQV-LFIBNONCSA-N. The full InChI is InChI=1S/C17H18O4S/c1-13-7-9-15(10-8-13)22(20,21)16(11-12-18)17(19)14-5-3-2-4-6-14/h2-11,17-19H,12H2,1H3/b16-11+.
What are the key properties of (E)-2-(4-methylphenyl)sulfonyl-1-phenylbut-2-ene-1,4-diol?
(E)-2-(4-methylphenyl)sulfonyl-1-phenylbut-2-ene-1,4-diol has a molecular weight of 318.39 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-methylphenyl)sulfonyl-1-phenylbut-2-ene-1,4-diol is sourced from PubChem (CID 14296283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).