(E)-4-(benzenesulfonyl)-1-phenylmethoxyhex-4-en-2-ol

C19H22O4S — CID 15421522

IUPAC(E)-4-(benzenesulfonyl)-1-phenylmethoxyhex-4-en-2-ol
SMILESC/C=C(\CC(O)COCc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H22O4S/c1-2-18(24(21,22)19-11-7-4-8-12-19)13-17(20)15-23-14-16-9-5-3-6-10-16/h2-12,17,20H,13-15H2,1H3/b18-2+
InChIKeyFBGQMDJUPYFWFI-LPRJTOQXSA-N
MW346.45 g/mol
LogP3.33
Rot. Bonds8

About (E)-4-(benzenesulfonyl)-1-phenylmethoxyhex-4-en-2-ol

(E)-4-(benzenesulfonyl)-1-phenylmethoxyhex-4-en-2-ol (PubChem CID 15421522) has the molecular formula C19H22O4S and a molecular weight of 346.45 g/mol. Its IUPAC name is (E)-4-(benzenesulfonyl)-1-phenylmethoxyhex-4-en-2-ol.

Molecular Properties

Compound Name(E)-4-(benzenesulfonyl)-1-phenylmethoxyhex-4-en-2-ol
PubChem CID15421522
Molecular FormulaC19H22O4S
Molecular Weight346.45 g/mol
Exact Mass346.12
IUPAC Name(E)-4-(benzenesulfonyl)-1-phenylmethoxyhex-4-en-2-ol
SMILESC/C=C(\CC(O)COCc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H22O4S/c1-2-18(24(21,22)19-11-7-4-8-12-19)13-17(20)15-23-14-16-9-5-3-6-10-16/h2-12,17,20H,13-15H2,1H3/b18-2+
InChIKeyFBGQMDJUPYFWFI-LPRJTOQXSA-N
XLogP3.33
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (E)-4-(benzenesulfonyl)-1-phenylmethoxyhex-4-en-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-Hydroxy-3-phenylmethoxypropyl)selanylbenzenesulfonamide
CID 145949974
5-Hydroxymethyl-2,3-bis-(4-methanesulfonylphenyl)tetrahydrofuran-3-ol
CID 44424016
(2R)-3-(Benzyloxy)-2-hydroxypropyl 4-methylbenzene-1-sulfonate
CID 13644871
Thiophene, tetrahydro-3,4-dibenzyloxy-, 1,1-dioxide, (Z)-
CID 3053243
Thiophene, tetrahydro-3,4-dibenzyloxy-, 1,1-dioxide, (E)-
CID 3053244
(1R)-3-(benzenesulfonyl)-1-[(2R,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]propan-1-ol
CID 44264640
1-methylsulfonyl-4-[(1R,2S)-1,2,3-trimethoxypropyl]benzene
CID 56659316
(1R,2S)-1,3-dimethoxy-1-(4-methylsulfonylphenyl)propan-2-ol
CID 56665069
(1R,2S)-3-methoxy-1-(4-methylsulfonylphenyl)propane-1,2-diol
CID 56673170
(2S,3R)-3-methoxy-3-(4-methylsulfonylphenyl)propane-1,2-diol
CID 56676499
1-methyl-4-[(E)-3-phenylmethoxyprop-1-enyl]sulfonylbenzene
CID 101696273
2-(Benzyloxy)ethyl 4-methylbenzenesulfonate
CID 561375

Frequently Asked Questions

What is the IUPAC name of (E)-4-(benzenesulfonyl)-1-phenylmethoxyhex-4-en-2-ol?
The IUPAC name of (E)-4-(benzenesulfonyl)-1-phenylmethoxyhex-4-en-2-ol (CID 15421522) is (E)-4-(benzenesulfonyl)-1-phenylmethoxyhex-4-en-2-ol.
What is the SMILES notation for (E)-4-(benzenesulfonyl)-1-phenylmethoxyhex-4-en-2-ol?
The canonical SMILES for (E)-4-(benzenesulfonyl)-1-phenylmethoxyhex-4-en-2-ol is C/C=C(\CC(O)COCc1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of (E)-4-(benzenesulfonyl)-1-phenylmethoxyhex-4-en-2-ol?
The InChIKey is FBGQMDJUPYFWFI-LPRJTOQXSA-N. The full InChI is InChI=1S/C19H22O4S/c1-2-18(24(21,22)19-11-7-4-8-12-19)13-17(20)15-23-14-16-9-5-3-6-10-16/h2-12,17,20H,13-15H2,1H3/b18-2+.
What are the key properties of (E)-4-(benzenesulfonyl)-1-phenylmethoxyhex-4-en-2-ol?
(E)-4-(benzenesulfonyl)-1-phenylmethoxyhex-4-en-2-ol has a molecular weight of 346.45 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(benzenesulfonyl)-1-phenylmethoxyhex-4-en-2-ol is sourced from PubChem (CID 15421522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).