(Z)-1-ethoxy-5-phenyl-2-phenylsulfanylpent-1-en-4-yn-3-ol

C19H18O2S — CID 10519024

IUPAC(Z)-1-ethoxy-5-phenyl-2-phenylsulfanylpent-1-en-4-yn-3-ol
SMILESCCO/C=C(\Sc1ccccc1)C(O)C#Cc1ccccc1
InChIInChI=1S/C19H18O2S/c1-2-21-15-19(22-17-11-7-4-8-12-17)18(20)14-13-16-9-5-3-6-10-16/h3-12,15,18,20H,2H2,1H3/b19-15-
InChIKeyJCPQOKVBZRLDHL-CYVLTUHYSA-N
MW310.42 g/mol
LogP4.07
Rot. Bonds5

About (Z)-1-ethoxy-5-phenyl-2-phenylsulfanylpent-1-en-4-yn-3-ol

(Z)-1-ethoxy-5-phenyl-2-phenylsulfanylpent-1-en-4-yn-3-ol (PubChem CID 10519024) has the molecular formula C19H18O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is (Z)-1-ethoxy-5-phenyl-2-phenylsulfanylpent-1-en-4-yn-3-ol.

Molecular Properties

Compound Name(Z)-1-ethoxy-5-phenyl-2-phenylsulfanylpent-1-en-4-yn-3-ol
PubChem CID10519024
Molecular FormulaC19H18O2S
Molecular Weight310.42 g/mol
Exact Mass310.10
IUPAC Name(Z)-1-ethoxy-5-phenyl-2-phenylsulfanylpent-1-en-4-yn-3-ol
SMILESCCO/C=C(\Sc1ccccc1)C(O)C#Cc1ccccc1
InChIInChI=1S/C19H18O2S/c1-2-21-15-19(22-17-11-7-4-8-12-17)18(20)14-13-16-9-5-3-6-10-16/h3-12,15,18,20H,2H2,1H3/b19-15-
InChIKeyJCPQOKVBZRLDHL-CYVLTUHYSA-N
XLogP4.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-4-ethoxy-5,5,5-trifluoro-1-phenylpent-3-en-1-yn-3-yl]sulfanylbenzene
CID 10641442
(Z)-2-(4-methylphenyl)sulfanyl-3-phenylselanylprop-2-en-1-ol
CID 135066382
(E)-5-ethoxy-6,6,7,7,7-pentafluoro-1-phenyl-4-phenylsulfanylhept-4-en-1-yn-3-ol
CID 10502637
(1E,4E)-5-ethoxy-6,6,6-trifluoro-1-phenyl-4-phenylsulfanylhexa-1,4-dien-3-ol
CID 10523813
5-Phenyl-1-phenylsulfanylpent-1-yn-3-ol
CID 10400850
(2Z)-8-methoxy-1-phenyl-2-(4-phenylsulfanylbut-2-ynylidene)oct-3-yn-1-ol
CID 10668149
(5E)-5-benzylidene-11-methoxy-1-phenylsulfanylundeca-2,6-diyn-4-ol
CID 11003664
(E,2S)-1-(4-methylphenyl)sulfanyl-4-phenylbut-3-en-2-ol
CID 12185774
(E,2S)-4-(4-methylphenyl)-1-(4-methylphenyl)sulfanylbut-3-en-2-ol
CID 12185775
[(1E,3E)-1-methoxy-4-phenylbuta-1,3-dienyl]sulfanylbenzene
CID 13331795
[(Z)-1-(benzenesulfonyl)-2-propan-2-yloxyethenyl]benzene
CID 15309668
(2E)-8-methoxy-1-phenyl-2-(4-phenylsulfanylbut-2-ynylidene)oct-3-yn-1-ol
CID 15891794

Frequently Asked Questions

What is the IUPAC name of (Z)-1-ethoxy-5-phenyl-2-phenylsulfanylpent-1-en-4-yn-3-ol?
The IUPAC name of (Z)-1-ethoxy-5-phenyl-2-phenylsulfanylpent-1-en-4-yn-3-ol (CID 10519024) is (Z)-1-ethoxy-5-phenyl-2-phenylsulfanylpent-1-en-4-yn-3-ol.
What is the SMILES notation for (Z)-1-ethoxy-5-phenyl-2-phenylsulfanylpent-1-en-4-yn-3-ol?
The canonical SMILES for (Z)-1-ethoxy-5-phenyl-2-phenylsulfanylpent-1-en-4-yn-3-ol is CCO/C=C(\Sc1ccccc1)C(O)C#Cc1ccccc1.
What is the InChIKey of (Z)-1-ethoxy-5-phenyl-2-phenylsulfanylpent-1-en-4-yn-3-ol?
The InChIKey is JCPQOKVBZRLDHL-CYVLTUHYSA-N. The full InChI is InChI=1S/C19H18O2S/c1-2-21-15-19(22-17-11-7-4-8-12-17)18(20)14-13-16-9-5-3-6-10-16/h3-12,15,18,20H,2H2,1H3/b19-15-.
What are the key properties of (Z)-1-ethoxy-5-phenyl-2-phenylsulfanylpent-1-en-4-yn-3-ol?
(Z)-1-ethoxy-5-phenyl-2-phenylsulfanylpent-1-en-4-yn-3-ol has a molecular weight of 310.42 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-ethoxy-5-phenyl-2-phenylsulfanylpent-1-en-4-yn-3-ol is sourced from PubChem (CID 10519024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).