1-[(Z)-5,5-difluoro-4-(2-phenylethylsulfanyl)pent-3-enyl]-4-phenylmethoxybenzene

C26H26F2OS — CID 162623281

IUPAC1-[(Z)-5,5-difluoro-4-(2-phenylethylsulfanyl)pent-3-enyl]-4-phenylmethoxybenzene
SMILESFC(F)/C(=C/CCc1ccc(OCc2ccccc2)cc1)SCCc1ccccc1
InChIInChI=1S/C26H26F2OS/c27-26(28)25(30-19-18-21-8-3-1-4-9-21)13-7-12-22-14-16-24(17-15-22)29-20-23-10-5-2-6-11-23/h1-6,8-11,13-17,26H,7,12,18-20H2/b25-13-
InChIKeyQXIKILAIQUHKNC-MXAYSNPKSA-N
MW424.56 g/mol
LogP7.32
Rot. Bonds11

About 1-[(Z)-5,5-difluoro-4-(2-phenylethylsulfanyl)pent-3-enyl]-4-phenylmethoxybenzene

1-[(Z)-5,5-difluoro-4-(2-phenylethylsulfanyl)pent-3-enyl]-4-phenylmethoxybenzene (PubChem CID 162623281) has the molecular formula C26H26F2OS and a molecular weight of 424.56 g/mol. Its IUPAC name is 1-[(Z)-5,5-difluoro-4-(2-phenylethylsulfanyl)pent-3-enyl]-4-phenylmethoxybenzene.

Molecular Properties

Compound Name1-[(Z)-5,5-difluoro-4-(2-phenylethylsulfanyl)pent-3-enyl]-4-phenylmethoxybenzene
PubChem CID162623281
Molecular FormulaC26H26F2OS
Molecular Weight424.56 g/mol
Exact Mass424.17
IUPAC Name1-[(Z)-5,5-difluoro-4-(2-phenylethylsulfanyl)pent-3-enyl]-4-phenylmethoxybenzene
SMILESFC(F)/C(=C/CCc1ccc(OCc2ccccc2)cc1)SCCc1ccccc1
InChIInChI=1S/C26H26F2OS/c27-26(28)25(30-19-18-21-8-3-1-4-9-21)13-7-12-22-14-16-24(17-15-22)29-20-23-10-5-2-6-11-23/h1-6,8-11,13-17,26H,7,12,18-20H2/b25-13-
InChIKeyQXIKILAIQUHKNC-MXAYSNPKSA-N
XLogP7.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.56
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(Z)-5,5-difluoro-4-(2-phenylethylsulfanyl)pent-3-enyl]-4-phenylmethoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(Isopropylthio)butoxy]naphthalene
CID 2237929
1-Tert-butyl-4-[3-(isopropylthio)propoxy]benzene
CID 2304711
1-Methoxy-4-[3-[(4-methoxyphenyl)methyldisulfanyl]prop-2-enylsulfanylmethyl]benzene
CID 70687330
2-((4-Ethoxyphenyl)Diphenylmethylthio)Ethanamine
CID 71582936
2-(Diphenyl(4-(Trifluoromethoxy)Phenyl)Methylthio)Ethanamine
CID 71719342
1-(7-Methylsulfonylheptyl)-4-phenylmethoxybenzene
CID 118855559
1,1,1-Trifluoro-3-[4-(4-phenylphenoxy)butylsulfanyl]propan-2-one
CID 44343095
2-(4-Benzylphenoxy)ethyl thiocyanate
CID 10468309
1-(2-Benzylsulfanylethoxy)-4-phenoxybenzene
CID 11002213
(E)-1,2-Diphenyl-1-(4-methoxyphenyl)-3,3,3-trifluoro-1-propene
CID 11314207
4-Benzyloxybenzotrifluoride
CID 2798168
1-Methoxy-4-[3,3,3-trifluoro-1-(4-methoxyphenyl)-2-phenylprop-1-enyl]benzene
CID 44383209

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-5,5-difluoro-4-(2-phenylethylsulfanyl)pent-3-enyl]-4-phenylmethoxybenzene?
The IUPAC name of 1-[(Z)-5,5-difluoro-4-(2-phenylethylsulfanyl)pent-3-enyl]-4-phenylmethoxybenzene (CID 162623281) is 1-[(Z)-5,5-difluoro-4-(2-phenylethylsulfanyl)pent-3-enyl]-4-phenylmethoxybenzene.
What is the SMILES notation for 1-[(Z)-5,5-difluoro-4-(2-phenylethylsulfanyl)pent-3-enyl]-4-phenylmethoxybenzene?
The canonical SMILES for 1-[(Z)-5,5-difluoro-4-(2-phenylethylsulfanyl)pent-3-enyl]-4-phenylmethoxybenzene is FC(F)/C(=C/CCc1ccc(OCc2ccccc2)cc1)SCCc1ccccc1.
What is the InChIKey of 1-[(Z)-5,5-difluoro-4-(2-phenylethylsulfanyl)pent-3-enyl]-4-phenylmethoxybenzene?
The InChIKey is QXIKILAIQUHKNC-MXAYSNPKSA-N. The full InChI is InChI=1S/C26H26F2OS/c27-26(28)25(30-19-18-21-8-3-1-4-9-21)13-7-12-22-14-16-24(17-15-22)29-20-23-10-5-2-6-11-23/h1-6,8-11,13-17,26H,7,12,18-20H2/b25-13-.
What are the key properties of 1-[(Z)-5,5-difluoro-4-(2-phenylethylsulfanyl)pent-3-enyl]-4-phenylmethoxybenzene?
1-[(Z)-5,5-difluoro-4-(2-phenylethylsulfanyl)pent-3-enyl]-4-phenylmethoxybenzene has a molecular weight of 424.56 g/mol, XLogP of 7.32, 11 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-(2-phenylethylsulfanyl)pent-3-enyl]-4-phenylmethoxybenzene is sourced from PubChem (CID 162623281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).