(E)-6-(benzenesulfonyl)-4-methyl-1-phenylhex-4-en-3-ol

C19H22O3S — CID 162418916

IUPAC(E)-6-(benzenesulfonyl)-4-methyl-1-phenylhex-4-en-3-ol
SMILESC/C(=C\CS(=O)(=O)c1ccccc1)C(O)CCc1ccccc1
InChIInChI=1S/C19H22O3S/c1-16(19(20)13-12-17-8-4-2-5-9-17)14-15-23(21,22)18-10-6-3-7-11-18/h2-11,14,19-20H,12-13,15H2,1H3/b16-14+
InChIKeyNFBJFRURFBQMCL-JQIJEIRASA-N
MW330.45 g/mol
LogP3.40
Rot. Bonds7

About (E)-6-(benzenesulfonyl)-4-methyl-1-phenylhex-4-en-3-ol

(E)-6-(benzenesulfonyl)-4-methyl-1-phenylhex-4-en-3-ol (PubChem CID 162418916) has the molecular formula C19H22O3S and a molecular weight of 330.45 g/mol. Its IUPAC name is (E)-6-(benzenesulfonyl)-4-methyl-1-phenylhex-4-en-3-ol.

Molecular Properties

Compound Name(E)-6-(benzenesulfonyl)-4-methyl-1-phenylhex-4-en-3-ol
PubChem CID162418916
Molecular FormulaC19H22O3S
Molecular Weight330.45 g/mol
Exact Mass330.13
IUPAC Name(E)-6-(benzenesulfonyl)-4-methyl-1-phenylhex-4-en-3-ol
SMILESC/C(=C\CS(=O)(=O)c1ccccc1)C(O)CCc1ccccc1
InChIInChI=1S/C19H22O3S/c1-16(19(20)13-12-17-8-4-2-5-9-17)14-15-23(21,22)18-10-6-3-7-11-18/h2-11,14,19-20H,12-13,15H2,1H3/b16-14+
InChIKeyNFBJFRURFBQMCL-JQIJEIRASA-N
XLogP3.40
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.40
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

(3S,4R,5R)-3-butyl-3-ethyl-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6-benzothiepin-4-ol
CID 11595883
2-Methanesulfonyl-1-phenylethan-1-ol
CID 220240
1-Phenyl-2-(phenylsulfinyl)ethanol
CID 288472
1-[2-(4-Hydroxymethylphenyl)cyclopenten-1-yl]-4-(methylsulfonyl)benzene
CID 10426661
(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
(1R)-1-(4-methanesulfonylphenyl)ethan-1-ol
CID 25324440
1-(Benzylsulfonyl)-2-phenyl-2-propanol
CID 4255750
2-(Benzylsulfonyl)cyclohexan-1-ol
CID 2725945
4-(4-Methylsulfonylphenyl)-5,5-diphenylpent-4-en-1-ol
CID 155541121
5-(4-Methylsulfonylphenyl)-6,6-diphenylhex-5-en-1-ol
CID 155552943

Frequently Asked Questions

What is the IUPAC name of (E)-6-(benzenesulfonyl)-4-methyl-1-phenylhex-4-en-3-ol?
The IUPAC name of (E)-6-(benzenesulfonyl)-4-methyl-1-phenylhex-4-en-3-ol (CID 162418916) is (E)-6-(benzenesulfonyl)-4-methyl-1-phenylhex-4-en-3-ol.
What is the SMILES notation for (E)-6-(benzenesulfonyl)-4-methyl-1-phenylhex-4-en-3-ol?
The canonical SMILES for (E)-6-(benzenesulfonyl)-4-methyl-1-phenylhex-4-en-3-ol is C/C(=C\CS(=O)(=O)c1ccccc1)C(O)CCc1ccccc1.
What is the InChIKey of (E)-6-(benzenesulfonyl)-4-methyl-1-phenylhex-4-en-3-ol?
The InChIKey is NFBJFRURFBQMCL-JQIJEIRASA-N. The full InChI is InChI=1S/C19H22O3S/c1-16(19(20)13-12-17-8-4-2-5-9-17)14-15-23(21,22)18-10-6-3-7-11-18/h2-11,14,19-20H,12-13,15H2,1H3/b16-14+.
What are the key properties of (E)-6-(benzenesulfonyl)-4-methyl-1-phenylhex-4-en-3-ol?
(E)-6-(benzenesulfonyl)-4-methyl-1-phenylhex-4-en-3-ol has a molecular weight of 330.45 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-(benzenesulfonyl)-4-methyl-1-phenylhex-4-en-3-ol is sourced from PubChem (CID 162418916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).