(E)-1-phenyl-4-phenylsulfanylbut-3-en-1-ol

C16H16OS — CID 12653805

IUPAC(E)-1-phenyl-4-phenylsulfanylbut-3-en-1-ol
SMILESOC(C/C=C/Sc1ccccc1)c1ccccc1
InChIInChI=1S/C16H16OS/c17-16(14-8-3-1-4-9-14)12-7-13-18-15-10-5-2-6-11-15/h1-11,13,16-17H,12H2/b13-7+
InChIKeyQKAAUCPBIOQQEE-NTUHNPAUSA-N
MW256.37 g/mol
LogP4.42
Rot. Bonds5

About (E)-1-phenyl-4-phenylsulfanylbut-3-en-1-ol

(E)-1-phenyl-4-phenylsulfanylbut-3-en-1-ol (PubChem CID 12653805) has the molecular formula C16H16OS and a molecular weight of 256.37 g/mol. Its IUPAC name is (E)-1-phenyl-4-phenylsulfanylbut-3-en-1-ol.

Molecular Properties

Compound Name(E)-1-phenyl-4-phenylsulfanylbut-3-en-1-ol
PubChem CID12653805
Molecular FormulaC16H16OS
Molecular Weight256.37 g/mol
Exact Mass256.09
IUPAC Name(E)-1-phenyl-4-phenylsulfanylbut-3-en-1-ol
SMILESOC(C/C=C/Sc1ccccc1)c1ccccc1
InChIInChI=1S/C16H16OS/c17-16(14-8-3-1-4-9-14)12-7-13-18-15-10-5-2-6-11-15/h1-11,13,16-17H,12H2/b13-7+
InChIKeyQKAAUCPBIOQQEE-NTUHNPAUSA-N
XLogP4.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-1-phenyl-4-phenylsulfanylbut-3-en-1-ol?
The IUPAC name of (E)-1-phenyl-4-phenylsulfanylbut-3-en-1-ol (CID 12653805) is (E)-1-phenyl-4-phenylsulfanylbut-3-en-1-ol.
What is the SMILES notation for (E)-1-phenyl-4-phenylsulfanylbut-3-en-1-ol?
The canonical SMILES for (E)-1-phenyl-4-phenylsulfanylbut-3-en-1-ol is OC(C/C=C/Sc1ccccc1)c1ccccc1.
What is the InChIKey of (E)-1-phenyl-4-phenylsulfanylbut-3-en-1-ol?
The InChIKey is QKAAUCPBIOQQEE-NTUHNPAUSA-N. The full InChI is InChI=1S/C16H16OS/c17-16(14-8-3-1-4-9-14)12-7-13-18-15-10-5-2-6-11-15/h1-11,13,16-17H,12H2/b13-7+.
What are the key properties of (E)-1-phenyl-4-phenylsulfanylbut-3-en-1-ol?
(E)-1-phenyl-4-phenylsulfanylbut-3-en-1-ol has a molecular weight of 256.37 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-phenyl-4-phenylsulfanylbut-3-en-1-ol is sourced from PubChem (CID 12653805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).