(E)-1,1-diphenyl-4-phenylsulfanylbut-3-en-1-ol

C22H20OS — CID 5363672

IUPAC(E)-1,1-diphenyl-4-phenylsulfanylbut-3-en-1-ol
SMILESOC(C/C=C/Sc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20OS/c23-22(19-11-4-1-5-12-19,20-13-6-2-7-14-20)17-10-18-24-21-15-8-3-9-16-21/h1-16,18,23H,17H2/b18-10+
InChIKeyVPXVPNHMPTZRRB-VCHYOVAHSA-N
MW332.47 g/mol
LogP5.62
Rot. Bonds6

About (E)-1,1-diphenyl-4-phenylsulfanylbut-3-en-1-ol

(E)-1,1-diphenyl-4-phenylsulfanylbut-3-en-1-ol (PubChem CID 5363672) has the molecular formula C22H20OS and a molecular weight of 332.47 g/mol. Its IUPAC name is (E)-1,1-diphenyl-4-phenylsulfanylbut-3-en-1-ol.

Molecular Properties

Compound Name(E)-1,1-diphenyl-4-phenylsulfanylbut-3-en-1-ol
PubChem CID5363672
Molecular FormulaC22H20OS
Molecular Weight332.47 g/mol
Exact Mass332.12
IUPAC Name(E)-1,1-diphenyl-4-phenylsulfanylbut-3-en-1-ol
SMILESOC(C/C=C/Sc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20OS/c23-22(19-11-4-1-5-12-19,20-13-6-2-7-14-20)17-10-18-24-21-15-8-3-9-16-21/h1-16,18,23H,17H2/b18-10+
InChIKeyVPXVPNHMPTZRRB-VCHYOVAHSA-N
XLogP5.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.47
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-1,1-diphenyl-4-phenylsulfanylbut-3-en-1-ol?
The IUPAC name of (E)-1,1-diphenyl-4-phenylsulfanylbut-3-en-1-ol (CID 5363672) is (E)-1,1-diphenyl-4-phenylsulfanylbut-3-en-1-ol.
What is the SMILES notation for (E)-1,1-diphenyl-4-phenylsulfanylbut-3-en-1-ol?
The canonical SMILES for (E)-1,1-diphenyl-4-phenylsulfanylbut-3-en-1-ol is OC(C/C=C/Sc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-1,1-diphenyl-4-phenylsulfanylbut-3-en-1-ol?
The InChIKey is VPXVPNHMPTZRRB-VCHYOVAHSA-N. The full InChI is InChI=1S/C22H20OS/c23-22(19-11-4-1-5-12-19,20-13-6-2-7-14-20)17-10-18-24-21-15-8-3-9-16-21/h1-16,18,23H,17H2/b18-10+.
What are the key properties of (E)-1,1-diphenyl-4-phenylsulfanylbut-3-en-1-ol?
(E)-1,1-diphenyl-4-phenylsulfanylbut-3-en-1-ol has a molecular weight of 332.47 g/mol, XLogP of 5.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1-diphenyl-4-phenylsulfanylbut-3-en-1-ol is sourced from PubChem (CID 5363672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).