(1Z,4E)-1-ethoxy-5-phenyl-2-phenylsulfanylpenta-1,4-dien-3-ol

C19H20O2S — CID 10781424

IUPAC(1Z,4E)-1-ethoxy-5-phenyl-2-phenylsulfanylpenta-1,4-dien-3-ol
SMILESCCO/C=C(\Sc1ccccc1)C(O)/C=C/c1ccccc1
InChIInChI=1S/C19H20O2S/c1-2-21-15-19(22-17-11-7-4-8-12-17)18(20)14-13-16-9-5-3-6-10-16/h3-15,18,20H,2H2,1H3/b14-13+,19-15-
InChIKeyNDRHTJZBBNOSCP-MYCMRBOKSA-N
MW312.43 g/mol
LogP4.73
Rot. Bonds7

About (1Z,4E)-1-ethoxy-5-phenyl-2-phenylsulfanylpenta-1,4-dien-3-ol

(1Z,4E)-1-ethoxy-5-phenyl-2-phenylsulfanylpenta-1,4-dien-3-ol (PubChem CID 10781424) has the molecular formula C19H20O2S and a molecular weight of 312.43 g/mol. Its IUPAC name is (1Z,4E)-1-ethoxy-5-phenyl-2-phenylsulfanylpenta-1,4-dien-3-ol.

Molecular Properties

Compound Name(1Z,4E)-1-ethoxy-5-phenyl-2-phenylsulfanylpenta-1,4-dien-3-ol
PubChem CID10781424
Molecular FormulaC19H20O2S
Molecular Weight312.43 g/mol
Exact Mass312.12
IUPAC Name(1Z,4E)-1-ethoxy-5-phenyl-2-phenylsulfanylpenta-1,4-dien-3-ol
SMILESCCO/C=C(\Sc1ccccc1)C(O)/C=C/c1ccccc1
InChIInChI=1S/C19H20O2S/c1-2-21-15-19(22-17-11-7-4-8-12-17)18(20)14-13-16-9-5-3-6-10-16/h3-15,18,20H,2H2,1H3/b14-13+,19-15-
InChIKeyNDRHTJZBBNOSCP-MYCMRBOKSA-N
XLogP4.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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[(Z)-1-(benzenesulfonyl)-2-ethoxyethenyl]benzene
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(1E,4E)-5-ethoxy-6,6,6-trifluoro-1-phenyl-4-phenylsulfanylhexa-1,4-dien-3-ol
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(E)-1,1-difluoro-4-phenyl-1-phenylsulfanylbut-3-en-2-ol
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(Z)-1-phenyl-4-phenylsulfanylpentadec-4-en-3-ol
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(5E)-5-benzylidene-11-methoxy-1-phenylsulfanylundeca-2,6-diyn-4-ol
CID 11003664
(3R)-2-(4-methylphenyl)sulfanylpent-1-en-3-ol
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CID 12185771

Frequently Asked Questions

What is the IUPAC name of (1Z,4E)-1-ethoxy-5-phenyl-2-phenylsulfanylpenta-1,4-dien-3-ol?
The IUPAC name of (1Z,4E)-1-ethoxy-5-phenyl-2-phenylsulfanylpenta-1,4-dien-3-ol (CID 10781424) is (1Z,4E)-1-ethoxy-5-phenyl-2-phenylsulfanylpenta-1,4-dien-3-ol.
What is the SMILES notation for (1Z,4E)-1-ethoxy-5-phenyl-2-phenylsulfanylpenta-1,4-dien-3-ol?
The canonical SMILES for (1Z,4E)-1-ethoxy-5-phenyl-2-phenylsulfanylpenta-1,4-dien-3-ol is CCO/C=C(\Sc1ccccc1)C(O)/C=C/c1ccccc1.
What is the InChIKey of (1Z,4E)-1-ethoxy-5-phenyl-2-phenylsulfanylpenta-1,4-dien-3-ol?
The InChIKey is NDRHTJZBBNOSCP-MYCMRBOKSA-N. The full InChI is InChI=1S/C19H20O2S/c1-2-21-15-19(22-17-11-7-4-8-12-17)18(20)14-13-16-9-5-3-6-10-16/h3-15,18,20H,2H2,1H3/b14-13+,19-15-.
What are the key properties of (1Z,4E)-1-ethoxy-5-phenyl-2-phenylsulfanylpenta-1,4-dien-3-ol?
(1Z,4E)-1-ethoxy-5-phenyl-2-phenylsulfanylpenta-1,4-dien-3-ol has a molecular weight of 312.43 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,4E)-1-ethoxy-5-phenyl-2-phenylsulfanylpenta-1,4-dien-3-ol is sourced from PubChem (CID 10781424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).