(Z)-4-(4-methylphenyl)sulfonylnon-4-en-3-ol

C16H24O3S — CID 10859432

IUPAC(Z)-4-(4-methylphenyl)sulfonylnon-4-en-3-ol
SMILESCCCC/C=C(/C(O)CC)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H24O3S/c1-4-6-7-8-16(15(17)5-2)20(18,19)14-11-9-13(3)10-12-14/h8-12,15,17H,4-7H2,1-3H3/b16-8-
InChIKeyWWOQUTSAVVAIEN-PXNMLYILSA-N
MW296.43 g/mol
LogP3.61
Rot. Bonds7

About (Z)-4-(4-methylphenyl)sulfonylnon-4-en-3-ol

(Z)-4-(4-methylphenyl)sulfonylnon-4-en-3-ol (PubChem CID 10859432) has the molecular formula C16H24O3S and a molecular weight of 296.43 g/mol. Its IUPAC name is (Z)-4-(4-methylphenyl)sulfonylnon-4-en-3-ol.

Molecular Properties

Compound Name(Z)-4-(4-methylphenyl)sulfonylnon-4-en-3-ol
PubChem CID10859432
Molecular FormulaC16H24O3S
Molecular Weight296.43 g/mol
Exact Mass296.14
IUPAC Name(Z)-4-(4-methylphenyl)sulfonylnon-4-en-3-ol
SMILESCCCC/C=C(/C(O)CC)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H24O3S/c1-4-6-7-8-16(15(17)5-2)20(18,19)14-11-9-13(3)10-12-14/h8-12,15,17H,4-7H2,1-3H3/b16-8-
InChIKeyWWOQUTSAVVAIEN-PXNMLYILSA-N
XLogP3.61
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E,3S)-2-methyl-4-(4-methylphenyl)sulfonylnon-4-en-3-ol
CID 11023323
1-[(E)-1-iodohex-1-enyl]sulfonyl-4-methylbenzene
CID 24764277
1-methyl-4-[(4Z)-nona-1,4-dien-4-yl]sulfonylbenzene
CID 102080230
1-[(E)-hex-1-enyl]sulfonyl-4-methylbenzene
CID 12556455
1-(4-methylphenyl)sulfonyloxydec-1-enyl 4-methylbenzenesulfonate
CID 135012880
(NE)-4-methyl-N-pentylidenebenzenesulfonamide
CID 10911631
(NZ)-4-methyl-N-pentylidenebenzenesulfonamide
CID 134996221
(2S)-4-(4-methylphenyl)sulfonylnona-3,5-dien-2-ol
CID 71367584
(E)-1-bromo-2-(4-methylphenyl)sulfonyldec-2-en-4-ol
CID 10739068
(5R,6E,8E)-7-(4-methylphenyl)sulfonylundeca-6,8-dien-5-ol
CID 101397131
methyl (Z)-2-[methyl-(4-methylphenyl)sulfonylamino]hept-2-enoate
CID 134958732
(3R,4E)-4-(4-methylphenyl)sulfonylhepta-1,4,6-trien-3-ol
CID 11615925

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(4-methylphenyl)sulfonylnon-4-en-3-ol?
The IUPAC name of (Z)-4-(4-methylphenyl)sulfonylnon-4-en-3-ol (CID 10859432) is (Z)-4-(4-methylphenyl)sulfonylnon-4-en-3-ol.
What is the SMILES notation for (Z)-4-(4-methylphenyl)sulfonylnon-4-en-3-ol?
The canonical SMILES for (Z)-4-(4-methylphenyl)sulfonylnon-4-en-3-ol is CCCC/C=C(/C(O)CC)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (Z)-4-(4-methylphenyl)sulfonylnon-4-en-3-ol?
The InChIKey is WWOQUTSAVVAIEN-PXNMLYILSA-N. The full InChI is InChI=1S/C16H24O3S/c1-4-6-7-8-16(15(17)5-2)20(18,19)14-11-9-13(3)10-12-14/h8-12,15,17H,4-7H2,1-3H3/b16-8-.
What are the key properties of (Z)-4-(4-methylphenyl)sulfonylnon-4-en-3-ol?
(Z)-4-(4-methylphenyl)sulfonylnon-4-en-3-ol has a molecular weight of 296.43 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(4-methylphenyl)sulfonylnon-4-en-3-ol is sourced from PubChem (CID 10859432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).