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

C24H22F2OS — CID 162623327

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

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

1-[(3R)-5,5-difluoro-3-phenylsulfanylpent-4-enyl]-4-phenylmethoxybenzene (PubChem CID 162623327) has the molecular formula C24H22F2OS and a molecular weight of 396.50 g/mol. Its IUPAC name is 1-[(3R)-5,5-difluoro-3-phenylsulfanylpent-4-enyl]-4-phenylmethoxybenzene.

Molecular Properties

Compound Name1-[(3R)-5,5-difluoro-3-phenylsulfanylpent-4-enyl]-4-phenylmethoxybenzene
PubChem CID162623327
Molecular FormulaC24H22F2OS
Molecular Weight396.50 g/mol
Exact Mass396.14
IUPAC Name1-[(3R)-5,5-difluoro-3-phenylsulfanylpent-4-enyl]-4-phenylmethoxybenzene
SMILESFC(F)=CC(CCc1ccc(OCc2ccccc2)cc1)Sc1ccccc1
InChIInChI=1S/C24H22F2OS/c25-24(26)17-23(28-22-9-5-2-6-10-22)16-13-19-11-14-21(15-12-19)27-18-20-7-3-1-4-8-20/h1-12,14-15,17,23H,13,16,18H2
InChIKeyMOWSFANZDZKJEJ-UHFFFAOYSA-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
(Trifluoromethyl)(4-((4-((trifluoromethyl)thio)benzyl)oxy)phenyl)sulfane
CID 145991728
1-((2-Methyl-2-(4-((trifluoromethyl)thio)phenyl)propoxy)methyl)-3-phenoxybenzene
CID 3027314
Benzene, 1-((2-(4-(ethylthio)phenyl)-2-methylpropoxy)methyl)-3-phenoxy-
CID 3067203
Benzene, 1-fluoro-4-((2-(4-((1-methylethyl)thio)phenyl)-2-methylpropoxy)methyl)-2-phenoxy-
CID 3068494
2-[4-(Octyloxy)phenyl]thiophene
CID 18448197
3-(Benzenesulfinyl)-1,1,1-trifluoro-5-(4-methoxyphenyl)pentan-2-ol
CID 3000055
1,1,1-Trifluoro-3-[4-(4-phenylphenoxy)butylsulfanyl]propan-2-one
CID 44343095
1-(2-Benzylsulfanylethoxy)-4-phenoxybenzene
CID 11002213
2-(4-Phenylmethoxyphenyl)-1,3-dithiolane
CID 2743380
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-[(3R)-5,5-difluoro-3-phenylsulfanylpent-4-enyl]-4-phenylmethoxybenzene?
The IUPAC name of 1-[(3R)-5,5-difluoro-3-phenylsulfanylpent-4-enyl]-4-phenylmethoxybenzene (CID 162623327) is 1-[(3R)-5,5-difluoro-3-phenylsulfanylpent-4-enyl]-4-phenylmethoxybenzene.
What is the SMILES notation for 1-[(3R)-5,5-difluoro-3-phenylsulfanylpent-4-enyl]-4-phenylmethoxybenzene?
The canonical SMILES for 1-[(3R)-5,5-difluoro-3-phenylsulfanylpent-4-enyl]-4-phenylmethoxybenzene is FC(F)=CC(CCc1ccc(OCc2ccccc2)cc1)Sc1ccccc1.
What is the InChIKey of 1-[(3R)-5,5-difluoro-3-phenylsulfanylpent-4-enyl]-4-phenylmethoxybenzene?
The InChIKey is MOWSFANZDZKJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2OS/c25-24(26)17-23(28-22-9-5-2-6-10-22)16-13-19-11-14-21(15-12-19)27-18-20-7-3-1-4-8-20/h1-12,14-15,17,23H,13,16,18H2.
What are the key properties of 1-[(3R)-5,5-difluoro-3-phenylsulfanylpent-4-enyl]-4-phenylmethoxybenzene?
1-[(3R)-5,5-difluoro-3-phenylsulfanylpent-4-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-[(3R)-5,5-difluoro-3-phenylsulfanylpent-4-enyl]-4-phenylmethoxybenzene is sourced from PubChem (CID 162623327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).