(Z)-4-ethoxy-2-phenyl-3-phenylsulfanylbut-3-en-2-ol

C18H20O2S — CID 10614180

IUPAC(Z)-4-ethoxy-2-phenyl-3-phenylsulfanylbut-3-en-2-ol
SMILESCCO/C=C(\Sc1ccccc1)C(C)(O)c1ccccc1
InChIInChI=1S/C18H20O2S/c1-3-20-14-17(21-16-12-8-5-9-13-16)18(2,19)15-10-6-4-7-11-15/h4-14,19H,3H2,1-2H3/b17-14-
InChIKeyCBWLVTKGZCDXHG-VKAVYKQESA-N
MW300.42 g/mol
LogP4.56
Rot. Bonds6

About (Z)-4-ethoxy-2-phenyl-3-phenylsulfanylbut-3-en-2-ol

(Z)-4-ethoxy-2-phenyl-3-phenylsulfanylbut-3-en-2-ol (PubChem CID 10614180) has the molecular formula C18H20O2S and a molecular weight of 300.42 g/mol. Its IUPAC name is (Z)-4-ethoxy-2-phenyl-3-phenylsulfanylbut-3-en-2-ol.

Molecular Properties

Compound Name(Z)-4-ethoxy-2-phenyl-3-phenylsulfanylbut-3-en-2-ol
PubChem CID10614180
Molecular FormulaC18H20O2S
Molecular Weight300.42 g/mol
Exact Mass300.12
IUPAC Name(Z)-4-ethoxy-2-phenyl-3-phenylsulfanylbut-3-en-2-ol
SMILESCCO/C=C(\Sc1ccccc1)C(C)(O)c1ccccc1
InChIInChI=1S/C18H20O2S/c1-3-20-14-17(21-16-12-8-5-9-13-16)18(2,19)15-10-6-4-7-11-15/h4-14,19H,3H2,1-2H3/b17-14-
InChIKeyCBWLVTKGZCDXHG-VKAVYKQESA-N
XLogP4.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 54.56
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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ethyl 4,4,4-trifluoro-3-phenylsulfanylbut-2-enoate
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ethyl (E)-2,4-dihydroxy-2-methyl-4-phenylsulfanylbut-3-enoate
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(2S)-2-phenyl-1-phenylsulfanylpropan-2-ol
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(E)-3-ethyl-2-phenylhex-3-en-2-ol
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3-ethyl-2-phenylhex-3-en-2-ol
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ethoxyethane;triphenylmethanol
CID 70428584
(Z)-2-methyl-3-phenylsulfanyldodec-3-en-5-yn-2-ol
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ethyl formate;2-methylbutan-2-ylbenzene
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Frequently Asked Questions

What is the IUPAC name of (Z)-4-ethoxy-2-phenyl-3-phenylsulfanylbut-3-en-2-ol?
The IUPAC name of (Z)-4-ethoxy-2-phenyl-3-phenylsulfanylbut-3-en-2-ol (CID 10614180) is (Z)-4-ethoxy-2-phenyl-3-phenylsulfanylbut-3-en-2-ol.
What is the SMILES notation for (Z)-4-ethoxy-2-phenyl-3-phenylsulfanylbut-3-en-2-ol?
The canonical SMILES for (Z)-4-ethoxy-2-phenyl-3-phenylsulfanylbut-3-en-2-ol is CCO/C=C(\Sc1ccccc1)C(C)(O)c1ccccc1.
What is the InChIKey of (Z)-4-ethoxy-2-phenyl-3-phenylsulfanylbut-3-en-2-ol?
The InChIKey is CBWLVTKGZCDXHG-VKAVYKQESA-N. The full InChI is InChI=1S/C18H20O2S/c1-3-20-14-17(21-16-12-8-5-9-13-16)18(2,19)15-10-6-4-7-11-15/h4-14,19H,3H2,1-2H3/b17-14-.
What are the key properties of (Z)-4-ethoxy-2-phenyl-3-phenylsulfanylbut-3-en-2-ol?
(Z)-4-ethoxy-2-phenyl-3-phenylsulfanylbut-3-en-2-ol has a molecular weight of 300.42 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-ethoxy-2-phenyl-3-phenylsulfanylbut-3-en-2-ol is sourced from PubChem (CID 10614180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).