(E)-6-(benzenesulfonyl)-1-phenylhex-5-en-3-ol

C18H20O3S — CID 134879202

IUPAC(E)-6-(benzenesulfonyl)-1-phenylhex-5-en-3-ol
SMILESO=S(=O)(/C=C/CC(O)CCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H20O3S/c19-17(14-13-16-8-3-1-4-9-16)10-7-15-22(20,21)18-11-5-2-6-12-18/h1-9,11-12,15,17,19H,10,13-14H2/b15-7+
InChIKeySKWMKTFIXWBOOG-VIZOYTHASA-N
MW316.42 g/mol
LogP3.36
Rot. Bonds7

About (E)-6-(benzenesulfonyl)-1-phenylhex-5-en-3-ol

(E)-6-(benzenesulfonyl)-1-phenylhex-5-en-3-ol (PubChem CID 134879202) has the molecular formula C18H20O3S and a molecular weight of 316.42 g/mol. Its IUPAC name is (E)-6-(benzenesulfonyl)-1-phenylhex-5-en-3-ol.

Molecular Properties

Compound Name(E)-6-(benzenesulfonyl)-1-phenylhex-5-en-3-ol
PubChem CID134879202
Molecular FormulaC18H20O3S
Molecular Weight316.42 g/mol
Exact Mass316.11
IUPAC Name(E)-6-(benzenesulfonyl)-1-phenylhex-5-en-3-ol
SMILESO=S(=O)(/C=C/CC(O)CCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H20O3S/c19-17(14-13-16-8-3-1-4-9-16)10-7-15-22(20,21)18-11-5-2-6-12-18/h1-9,11-12,15,17,19H,10,13-14H2/b15-7+
InChIKeySKWMKTFIXWBOOG-VIZOYTHASA-N
XLogP3.36
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R,5R)-3-butyl-3-ethyl-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6-benzothiepin-4-ol
CID 11595883
(4R,5R)-3,3-dibutyl-9-fluoro-5-(4-fluorophenyl)-1,1-dioxo-4,5-dihydro-2H-1lambda6-benzothiepin-4-ol
CID 11697828
6,6-Bis(4-fluorophenyl)-5-(4-methylsulfonylphenyl)hex-5-en-1-ol
CID 155568868
1-Phenyl-2-(phenylsulfinyl)ethanol
CID 288472
(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
2-(Benzylsulfonyl)cyclohexan-1-ol
CID 2725945
5,5-Bis(4-fluorophenyl)-4-(4-methylsulfonylphenyl)pent-4-en-1-ol
CID 155519218
4-(4-Methylsulfonylphenyl)-5,5-diphenylpent-4-en-1-ol
CID 155541121
5-(4-Methylsulfonylphenyl)-6,6-diphenylhex-5-en-1-ol
CID 155552943
6-(6-Hydroxy-5-methyl-5-phenylhexylsulfinyl)-2-methyl-2-phenylhexan-1-ol
CID 9980142

Frequently Asked Questions

What is the IUPAC name of (E)-6-(benzenesulfonyl)-1-phenylhex-5-en-3-ol?
The IUPAC name of (E)-6-(benzenesulfonyl)-1-phenylhex-5-en-3-ol (CID 134879202) is (E)-6-(benzenesulfonyl)-1-phenylhex-5-en-3-ol.
What is the SMILES notation for (E)-6-(benzenesulfonyl)-1-phenylhex-5-en-3-ol?
The canonical SMILES for (E)-6-(benzenesulfonyl)-1-phenylhex-5-en-3-ol is O=S(=O)(/C=C/CC(O)CCc1ccccc1)c1ccccc1.
What is the InChIKey of (E)-6-(benzenesulfonyl)-1-phenylhex-5-en-3-ol?
The InChIKey is SKWMKTFIXWBOOG-VIZOYTHASA-N. The full InChI is InChI=1S/C18H20O3S/c19-17(14-13-16-8-3-1-4-9-16)10-7-15-22(20,21)18-11-5-2-6-12-18/h1-9,11-12,15,17,19H,10,13-14H2/b15-7+.
What are the key properties of (E)-6-(benzenesulfonyl)-1-phenylhex-5-en-3-ol?
(E)-6-(benzenesulfonyl)-1-phenylhex-5-en-3-ol has a molecular weight of 316.42 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-(benzenesulfonyl)-1-phenylhex-5-en-3-ol is sourced from PubChem (CID 134879202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).