(E)-5-(benzenesulfinyl)-1-phenylmethoxypent-4-en-2-ol

C18H20O3S — CID 46217340

IUPAC(E)-5-(benzenesulfinyl)-1-phenylmethoxypent-4-en-2-ol
SMILESO=S(/C=C/CC(O)COCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H20O3S/c19-17(15-21-14-16-8-3-1-4-9-16)10-7-13-22(20)18-11-5-2-6-12-18/h1-9,11-13,17,19H,10,14-15H2/b13-7+
InChIKeyXJTNFPFAHTXUNU-NTUHNPAUSA-N
MW316.42 g/mol
LogP3.28
Rot. Bonds8

About (E)-5-(benzenesulfinyl)-1-phenylmethoxypent-4-en-2-ol

(E)-5-(benzenesulfinyl)-1-phenylmethoxypent-4-en-2-ol (PubChem CID 46217340) has the molecular formula C18H20O3S and a molecular weight of 316.42 g/mol. Its IUPAC name is (E)-5-(benzenesulfinyl)-1-phenylmethoxypent-4-en-2-ol.

Molecular Properties

Compound Name(E)-5-(benzenesulfinyl)-1-phenylmethoxypent-4-en-2-ol
PubChem CID46217340
Molecular FormulaC18H20O3S
Molecular Weight316.42 g/mol
Exact Mass316.11
IUPAC Name(E)-5-(benzenesulfinyl)-1-phenylmethoxypent-4-en-2-ol
SMILESO=S(/C=C/CC(O)COCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H20O3S/c19-17(15-21-14-16-8-3-1-4-9-16)10-7-13-22(20)18-11-5-2-6-12-18/h1-9,11-13,17,19H,10,14-15H2/b13-7+
InChIKeyXJTNFPFAHTXUNU-NTUHNPAUSA-N
XLogP3.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E,2S,3R)-5-(benzenesulfinyl)-3-methyl-1-phenylmethoxypent-4-en-2-ol
CID 46217444
(Z,2R)-1-phenylmethoxyhex-4-en-2-ol
CID 10352950
(Z)-1-phenylmethoxy-5-(3-phenylpropoxy)pent-4-en-2-ol
CID 10087776
(2R)-4-methylsulfinyl-1-phenylmethoxybutan-2-ol
CID 14225951
CID 172760983
CID 172760983
(4S)-5-phenylmethoxypentane-1,4-diol
CID 13181690
(Z,2S,6S)-7-chloro-1-phenylmethoxyhept-3-ene-2,6-diol
CID 10492308
2-phenylmethoxyethane-1,1-diol
CID 59866645
(2S)-1,4-bis(phenylmethoxy)butan-2-ol
CID 14814227
1-amino-3-phenylmethoxypropan-2-ol;oxalic acid
CID 46735900
1-(2-hydroxy-3-phenylmethoxypropyl)cyclopropane-1-carboxylic acid
CID 79425525
1-(2-aminoethoxy)-3-phenylmethoxypropan-2-ol
CID 106939746

Frequently Asked Questions

What is the IUPAC name of (E)-5-(benzenesulfinyl)-1-phenylmethoxypent-4-en-2-ol?
The IUPAC name of (E)-5-(benzenesulfinyl)-1-phenylmethoxypent-4-en-2-ol (CID 46217340) is (E)-5-(benzenesulfinyl)-1-phenylmethoxypent-4-en-2-ol.
What is the SMILES notation for (E)-5-(benzenesulfinyl)-1-phenylmethoxypent-4-en-2-ol?
The canonical SMILES for (E)-5-(benzenesulfinyl)-1-phenylmethoxypent-4-en-2-ol is O=S(/C=C/CC(O)COCc1ccccc1)c1ccccc1.
What is the InChIKey of (E)-5-(benzenesulfinyl)-1-phenylmethoxypent-4-en-2-ol?
The InChIKey is XJTNFPFAHTXUNU-NTUHNPAUSA-N. The full InChI is InChI=1S/C18H20O3S/c19-17(15-21-14-16-8-3-1-4-9-16)10-7-13-22(20)18-11-5-2-6-12-18/h1-9,11-13,17,19H,10,14-15H2/b13-7+.
What are the key properties of (E)-5-(benzenesulfinyl)-1-phenylmethoxypent-4-en-2-ol?
(E)-5-(benzenesulfinyl)-1-phenylmethoxypent-4-en-2-ol has a molecular weight of 316.42 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(benzenesulfinyl)-1-phenylmethoxypent-4-en-2-ol is sourced from PubChem (CID 46217340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).