(E)-1-phenyl-2-phenylsulfanylpent-2-en-1-one

C17H16OS — CID 11254187

IUPAC(E)-1-phenyl-2-phenylsulfanylpent-2-en-1-one
SMILESCC/C=C(/Sc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C17H16OS/c1-2-9-16(19-15-12-7-4-8-13-15)17(18)14-10-5-3-6-11-14/h3-13H,2H2,1H3/b16-9+
InChIKeyYSNKBFZKCPRGNS-CXUHLZMHSA-N
MW268.38 g/mol
LogP4.96
Rot. Bonds5

About (E)-1-phenyl-2-phenylsulfanylpent-2-en-1-one

(E)-1-phenyl-2-phenylsulfanylpent-2-en-1-one (PubChem CID 11254187) has the molecular formula C17H16OS and a molecular weight of 268.38 g/mol. Its IUPAC name is (E)-1-phenyl-2-phenylsulfanylpent-2-en-1-one.

Molecular Properties

Compound Name(E)-1-phenyl-2-phenylsulfanylpent-2-en-1-one
PubChem CID11254187
Molecular FormulaC17H16OS
Molecular Weight268.38 g/mol
Exact Mass268.09
IUPAC Name(E)-1-phenyl-2-phenylsulfanylpent-2-en-1-one
SMILESCC/C=C(/Sc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C17H16OS/c1-2-9-16(19-15-12-7-4-8-13-15)17(18)14-10-5-3-6-11-14/h3-13H,2H2,1H3/b16-9+
InChIKeyYSNKBFZKCPRGNS-CXUHLZMHSA-N
XLogP4.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-4-methoxy-2-(4-methylphenyl)sulfanyl-1-phenylbut-2-en-1-one
CID 46243033
2-hydroxy-1-phenylpent-2-en-1-one
CID 154192343
(E)-1,2-diphenylpent-2-en-1-one
CID 14568344
2-methyl-1-phenylpent-2-en-1-one
CID 130638834
[(Z)-hex-3-en-3-yl]sulfanylbenzene
CID 14935081
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
3-phenylhex-3-en-2-one
CID 130637770
(Z)-2-(4-chlorophenyl)selanyl-1-phenylpent-2-en-1-one
CID 139265077
4-oxo-3-phenylsulfanylpent-2-enoic acid
CID 152768255
(Z)-4-hydroxy-4-phenyl-3-phenylsulfanylbut-3-en-2-one
CID 2267014
1,2-diphenylethane-1,2-dione;ethoxyethane
CID 67496620
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699

Frequently Asked Questions

What is the IUPAC name of (E)-1-phenyl-2-phenylsulfanylpent-2-en-1-one?
The IUPAC name of (E)-1-phenyl-2-phenylsulfanylpent-2-en-1-one (CID 11254187) is (E)-1-phenyl-2-phenylsulfanylpent-2-en-1-one.
What is the SMILES notation for (E)-1-phenyl-2-phenylsulfanylpent-2-en-1-one?
The canonical SMILES for (E)-1-phenyl-2-phenylsulfanylpent-2-en-1-one is CC/C=C(/Sc1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of (E)-1-phenyl-2-phenylsulfanylpent-2-en-1-one?
The InChIKey is YSNKBFZKCPRGNS-CXUHLZMHSA-N. The full InChI is InChI=1S/C17H16OS/c1-2-9-16(19-15-12-7-4-8-13-15)17(18)14-10-5-3-6-11-14/h3-13H,2H2,1H3/b16-9+.
What are the key properties of (E)-1-phenyl-2-phenylsulfanylpent-2-en-1-one?
(E)-1-phenyl-2-phenylsulfanylpent-2-en-1-one has a molecular weight of 268.38 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-phenyl-2-phenylsulfanylpent-2-en-1-one is sourced from PubChem (CID 11254187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).