(Z)-2-(4-methylphenyl)sulfanyl-3-phenylselanylprop-2-en-1-ol

C16H16OSSe — CID 135066382

IUPAC(Z)-2-(4-methylphenyl)sulfanyl-3-phenylselanylprop-2-en-1-ol
SMILESCc1ccc(S/C(=C\[Se]c2ccccc2)CO)cc1
InChIInChI=1S/C16H16OSSe/c1-13-7-9-14(10-8-13)18-15(11-17)12-19-16-5-3-2-4-6-16/h2-10,12,17H,11H2,1H3/b15-12-
InChIKeyXXLZGSHKVYSUEK-QINSGFPZSA-N
MW335.33 g/mol
LogP2.95
Rot. Bonds5

About (Z)-2-(4-methylphenyl)sulfanyl-3-phenylselanylprop-2-en-1-ol

(Z)-2-(4-methylphenyl)sulfanyl-3-phenylselanylprop-2-en-1-ol (PubChem CID 135066382) has the molecular formula C16H16OSSe and a molecular weight of 335.33 g/mol. Its IUPAC name is (Z)-2-(4-methylphenyl)sulfanyl-3-phenylselanylprop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-2-(4-methylphenyl)sulfanyl-3-phenylselanylprop-2-en-1-ol
PubChem CID135066382
Molecular FormulaC16H16OSSe
Molecular Weight335.33 g/mol
Exact Mass336.01
IUPAC Name(Z)-2-(4-methylphenyl)sulfanyl-3-phenylselanylprop-2-en-1-ol
SMILESCc1ccc(S/C(=C\[Se]c2ccccc2)CO)cc1
InChIInChI=1S/C16H16OSSe/c1-13-7-9-14(10-8-13)18-15(11-17)12-19-16-5-3-2-4-6-16/h2-10,12,17H,11H2,1H3/b15-12-
InChIKeyXXLZGSHKVYSUEK-QINSGFPZSA-N
XLogP2.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ethanol, 2-[(4-methylphenyl)thio]-
CID 83313
4,4'-Bis(2-hydroxyethylthio)biphenyl
CID 2192654
2,2'-[Methylenebis(4,1-phenylenethio)]diethanol
CID 2054797
1-methyl-4-[(E)-1-phenylprop-1-en-2-yl]sulfanylbenzene
CID 5892855
1-methyl-4-[(E)-1-phenylbut-1-en-2-yl]sulfanylbenzene
CID 134934703
1-methyl-4-[(Z)-1-phenylprop-1-enyl]sulfanylbenzene
CID 176422872
(2E)-3-[4-(Methylthio)phenyl]-2-propen-1-ol
CID 10773724
1-[(4-Methylphenyl)thio]propan-2-ol
CID 12061426
2-(4-Phenylphenyl)sulfanylethanol
CID 116852645
(E)-1,1-difluoro-4-phenyl-1-phenylsulfanylbut-3-en-2-ol
CID 11358302
(E)-4,4,4-trifluoro-2-(4-methylphenyl)sulfanylbut-2-en-1-ol
CID 101453693
2,2-Difluoro-2-(4-methylphenyl)sulfanylethanol
CID 141527874

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-methylphenyl)sulfanyl-3-phenylselanylprop-2-en-1-ol?
The IUPAC name of (Z)-2-(4-methylphenyl)sulfanyl-3-phenylselanylprop-2-en-1-ol (CID 135066382) is (Z)-2-(4-methylphenyl)sulfanyl-3-phenylselanylprop-2-en-1-ol.
What is the SMILES notation for (Z)-2-(4-methylphenyl)sulfanyl-3-phenylselanylprop-2-en-1-ol?
The canonical SMILES for (Z)-2-(4-methylphenyl)sulfanyl-3-phenylselanylprop-2-en-1-ol is Cc1ccc(S/C(=C\[Se]c2ccccc2)CO)cc1.
What is the InChIKey of (Z)-2-(4-methylphenyl)sulfanyl-3-phenylselanylprop-2-en-1-ol?
The InChIKey is XXLZGSHKVYSUEK-QINSGFPZSA-N. The full InChI is InChI=1S/C16H16OSSe/c1-13-7-9-14(10-8-13)18-15(11-17)12-19-16-5-3-2-4-6-16/h2-10,12,17H,11H2,1H3/b15-12-.
What are the key properties of (Z)-2-(4-methylphenyl)sulfanyl-3-phenylselanylprop-2-en-1-ol?
(Z)-2-(4-methylphenyl)sulfanyl-3-phenylselanylprop-2-en-1-ol has a molecular weight of 335.33 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-methylphenyl)sulfanyl-3-phenylselanylprop-2-en-1-ol is sourced from PubChem (CID 135066382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).