1-[(Z)-5,5-difluoro-4-phenylsulfanylpent-3-enyl]-4-phenylmethoxybenzene

C24H22F2OS — CID 162623330

IUPAC1-[(Z)-5,5-difluoro-4-phenylsulfanylpent-3-enyl]-4-phenylmethoxybenzene
SMILESFC(F)/C(=C/CCc1ccc(OCc2ccccc2)cc1)Sc1ccccc1
InChIInChI=1S/C24H22F2OS/c25-24(26)23(28-22-11-5-2-6-12-22)13-7-10-19-14-16-21(17-15-19)27-18-20-8-3-1-4-9-20/h1-6,8-9,11-17,24H,7,10,18H2/b23-13-
InChIKeyCFYZOEGHTHWASM-QRVIBDJDSA-N
MW396.50 g/mol
LogP7.14
Rot. Bonds9

About 1-[(Z)-5,5-difluoro-4-phenylsulfanylpent-3-enyl]-4-phenylmethoxybenzene

1-[(Z)-5,5-difluoro-4-phenylsulfanylpent-3-enyl]-4-phenylmethoxybenzene (PubChem CID 162623330) has the molecular formula C24H22F2OS and a molecular weight of 396.50 g/mol. Its IUPAC name is 1-[(Z)-5,5-difluoro-4-phenylsulfanylpent-3-enyl]-4-phenylmethoxybenzene.

Molecular Properties

Compound Name1-[(Z)-5,5-difluoro-4-phenylsulfanylpent-3-enyl]-4-phenylmethoxybenzene
PubChem CID162623330
Molecular FormulaC24H22F2OS
Molecular Weight396.50 g/mol
Exact Mass396.14
IUPAC Name1-[(Z)-5,5-difluoro-4-phenylsulfanylpent-3-enyl]-4-phenylmethoxybenzene
SMILESFC(F)/C(=C/CCc1ccc(OCc2ccccc2)cc1)Sc1ccccc1
InChIInChI=1S/C24H22F2OS/c25-24(26)23(28-22-11-5-2-6-12-22)13-7-10-19-14-16-21(17-15-19)27-18-20-8-3-1-4-9-20/h1-6,8-9,11-17,24H,7,10,18H2/b23-13-
InChIKeyCFYZOEGHTHWASM-QRVIBDJDSA-N
XLogP7.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.50
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Benzyloxy)-4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}benzene
CID 146026050
Bis (4-methylphenyl)-
CID 140202473
S-(4-methylphenyl) (4-methylphenoxy)ethanethioate
CID 799745
(Trifluoromethyl)(4-((4-((trifluoromethyl)thio)benzyl)oxy)phenyl)sulfane
CID 145991728
US9771320, Example 133
CID 118220788
1-((2-Methyl-2-(4-((trifluoromethyl)thio)phenyl)propoxy)methyl)-3-phenoxybenzene
CID 3027314
Benzene, 1-fluoro-4-((2-(4-((1-methylethyl)thio)phenyl)-2-methylpropoxy)methyl)-2-phenoxy-
CID 3068494
1,1,1-Trifluoro-3-[4-(4-phenylphenoxy)butylsulfanyl]propan-2-one
CID 44343095
(E)-1,2-Diphenyl-1-(4-methoxyphenyl)-3,3,3-trifluoro-1-propene
CID 11314207
1-(1-Phenylpropoxy)-4-(trifluoromethyl)benzene
CID 56977062
Benzene, 1-methoxy-4-(1-(phenylthio)pentyl)-
CID 208881
Ethane, 1-(4-methoxyphenyl)-1-phenylthio-
CID 3045428

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-5,5-difluoro-4-phenylsulfanylpent-3-enyl]-4-phenylmethoxybenzene?
The IUPAC name of 1-[(Z)-5,5-difluoro-4-phenylsulfanylpent-3-enyl]-4-phenylmethoxybenzene (CID 162623330) is 1-[(Z)-5,5-difluoro-4-phenylsulfanylpent-3-enyl]-4-phenylmethoxybenzene.
What is the SMILES notation for 1-[(Z)-5,5-difluoro-4-phenylsulfanylpent-3-enyl]-4-phenylmethoxybenzene?
The canonical SMILES for 1-[(Z)-5,5-difluoro-4-phenylsulfanylpent-3-enyl]-4-phenylmethoxybenzene is FC(F)/C(=C/CCc1ccc(OCc2ccccc2)cc1)Sc1ccccc1.
What is the InChIKey of 1-[(Z)-5,5-difluoro-4-phenylsulfanylpent-3-enyl]-4-phenylmethoxybenzene?
The InChIKey is CFYZOEGHTHWASM-QRVIBDJDSA-N. The full InChI is InChI=1S/C24H22F2OS/c25-24(26)23(28-22-11-5-2-6-12-22)13-7-10-19-14-16-21(17-15-19)27-18-20-8-3-1-4-9-20/h1-6,8-9,11-17,24H,7,10,18H2/b23-13-.
What are the key properties of 1-[(Z)-5,5-difluoro-4-phenylsulfanylpent-3-enyl]-4-phenylmethoxybenzene?
1-[(Z)-5,5-difluoro-4-phenylsulfanylpent-3-enyl]-4-phenylmethoxybenzene has a molecular weight of 396.50 g/mol, XLogP of 7.14, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-5,5-difluoro-4-phenylsulfanylpent-3-enyl]-4-phenylmethoxybenzene is sourced from PubChem (CID 162623330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).