(Z)-5-cyclohexyl-5-(4-fluorophenyl)sulfonylpent-3-en-1-ol

C17H23FO3S — CID 134968160

IUPAC(Z)-5-cyclohexyl-5-(4-fluorophenyl)sulfonylpent-3-en-1-ol
SMILESO=S(=O)(c1ccc(F)cc1)C(/C=C\CCO)C1CCCCC1
InChIInChI=1S/C17H23FO3S/c18-15-9-11-16(12-10-15)22(20,21)17(8-4-5-13-19)14-6-2-1-3-7-14/h4,8-12,14,17,19H,1-3,5-7,13H2/b8-4-
InChIKeyKCCNTNDQEHNSMJ-YWEYNIOJSA-N
MW326.43 g/mol
LogP3.49
Rot. Bonds6

About (Z)-5-cyclohexyl-5-(4-fluorophenyl)sulfonylpent-3-en-1-ol

(Z)-5-cyclohexyl-5-(4-fluorophenyl)sulfonylpent-3-en-1-ol (PubChem CID 134968160) has the molecular formula C17H23FO3S and a molecular weight of 326.43 g/mol. Its IUPAC name is (Z)-5-cyclohexyl-5-(4-fluorophenyl)sulfonylpent-3-en-1-ol.

Molecular Properties

Compound Name(Z)-5-cyclohexyl-5-(4-fluorophenyl)sulfonylpent-3-en-1-ol
PubChem CID134968160
Molecular FormulaC17H23FO3S
Molecular Weight326.43 g/mol
Exact Mass326.14
IUPAC Name(Z)-5-cyclohexyl-5-(4-fluorophenyl)sulfonylpent-3-en-1-ol
SMILESO=S(=O)(c1ccc(F)cc1)C(/C=C\CCO)C1CCCCC1
InChIInChI=1S/C17H23FO3S/c18-15-9-11-16(12-10-15)22(20,21)17(8-4-5-13-19)14-6-2-1-3-7-14/h4,8-12,14,17,19H,1-3,5-7,13H2/b8-4-
InChIKeyKCCNTNDQEHNSMJ-YWEYNIOJSA-N
XLogP3.49
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-3-(4-methylphenyl)sulfonylpropan-1-ol
CID 14640298
2-[(4-Fluorophenyl)sulfonyl]ethanol
CID 2759144
(3R)-3-[bis(benzenesulfonyl)-fluoromethyl]hexan-1-ol
CID 101483657
(2R,3S)-2-[2,2-bis(benzenesulfonyl)ethyl]-3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecylsulfanyl)hexane-1,6-diol
CID 134960853
(2R,3R)-2-[2,2-bis(benzenesulfonyl)ethyl]-3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecylsulfanyl)hexane-1,6-diol
CID 134961152
(2S,3R)-2-[2,2-bis(benzenesulfonyl)ethyl]-3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecylsulfanyl)hexane-1,6-diol
CID 134961153
(2S,3S)-2-[2,2-bis(benzenesulfonyl)ethyl]-3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecylsulfanyl)hexane-1,6-diol
CID 134961280
(R)-3-fluoro-3-phenyl-8-tosyloctan-1-ol
CID 138375715
(2S)-2-[(4-fluorophenyl)sulfonyl-phenylmethyl]butan-1-ol
CID 164685184
2-Cyclohexylethylsulfonylbenzene
CID 11791690
(1R)-2-(benzenesulfonyl)-1-cyclohexylethanol
CID 12958388
(4R,5S)-4-[1-(benzenesulfonyl)ethenyl]decan-5-ol
CID 14891604

Frequently Asked Questions

What is the IUPAC name of (Z)-5-cyclohexyl-5-(4-fluorophenyl)sulfonylpent-3-en-1-ol?
The IUPAC name of (Z)-5-cyclohexyl-5-(4-fluorophenyl)sulfonylpent-3-en-1-ol (CID 134968160) is (Z)-5-cyclohexyl-5-(4-fluorophenyl)sulfonylpent-3-en-1-ol.
What is the SMILES notation for (Z)-5-cyclohexyl-5-(4-fluorophenyl)sulfonylpent-3-en-1-ol?
The canonical SMILES for (Z)-5-cyclohexyl-5-(4-fluorophenyl)sulfonylpent-3-en-1-ol is O=S(=O)(c1ccc(F)cc1)C(/C=C\CCO)C1CCCCC1.
What is the InChIKey of (Z)-5-cyclohexyl-5-(4-fluorophenyl)sulfonylpent-3-en-1-ol?
The InChIKey is KCCNTNDQEHNSMJ-YWEYNIOJSA-N. The full InChI is InChI=1S/C17H23FO3S/c18-15-9-11-16(12-10-15)22(20,21)17(8-4-5-13-19)14-6-2-1-3-7-14/h4,8-12,14,17,19H,1-3,5-7,13H2/b8-4-.
What are the key properties of (Z)-5-cyclohexyl-5-(4-fluorophenyl)sulfonylpent-3-en-1-ol?
(Z)-5-cyclohexyl-5-(4-fluorophenyl)sulfonylpent-3-en-1-ol has a molecular weight of 326.43 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-cyclohexyl-5-(4-fluorophenyl)sulfonylpent-3-en-1-ol is sourced from PubChem (CID 134968160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).