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

C26H26F2OS — CID 162623262

IUPAC1-[(3R)-5,5-difluoro-3-(2-phenylethylsulfanyl)pent-4-enyl]-4-phenylmethoxybenzene
SMILESFC(F)=C[C@@H](CCc1ccc(OCc2ccccc2)cc1)SCCc1ccccc1
InChIInChI=1S/C26H26F2OS/c27-26(28)19-25(30-18-17-21-7-3-1-4-8-21)16-13-22-11-14-24(15-12-22)29-20-23-9-5-2-6-10-23/h1-12,14-15,19,25H,13,16-18,20H2/t25-/m1/s1
InChIKeyIOVVXDHDJUBGPP-RUZDIDTESA-N
MW424.56 g/mol
LogP7.32
Rot. Bonds11

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

1-[(3R)-5,5-difluoro-3-(2-phenylethylsulfanyl)pent-4-enyl]-4-phenylmethoxybenzene (PubChem CID 162623262) has the molecular formula C26H26F2OS and a molecular weight of 424.56 g/mol. Its IUPAC name is 1-[(3R)-5,5-difluoro-3-(2-phenylethylsulfanyl)pent-4-enyl]-4-phenylmethoxybenzene.

Molecular Properties

Compound Name1-[(3R)-5,5-difluoro-3-(2-phenylethylsulfanyl)pent-4-enyl]-4-phenylmethoxybenzene
PubChem CID162623262
Molecular FormulaC26H26F2OS
Molecular Weight424.56 g/mol
Exact Mass424.17
IUPAC Name1-[(3R)-5,5-difluoro-3-(2-phenylethylsulfanyl)pent-4-enyl]-4-phenylmethoxybenzene
SMILESFC(F)=C[C@@H](CCc1ccc(OCc2ccccc2)cc1)SCCc1ccccc1
InChIInChI=1S/C26H26F2OS/c27-26(28)19-25(30-18-17-21-7-3-1-4-8-21)16-13-22-11-14-24(15-12-22)29-20-23-9-5-2-6-10-23/h1-12,14-15,19,25H,13,16-18,20H2/t25-/m1/s1
InChIKeyIOVVXDHDJUBGPP-RUZDIDTESA-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

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Related Compounds

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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
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CID 11314207
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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-5,5-difluoro-3-(2-phenylethylsulfanyl)pent-4-enyl]-4-phenylmethoxybenzene?
The IUPAC name of 1-[(3R)-5,5-difluoro-3-(2-phenylethylsulfanyl)pent-4-enyl]-4-phenylmethoxybenzene (CID 162623262) is 1-[(3R)-5,5-difluoro-3-(2-phenylethylsulfanyl)pent-4-enyl]-4-phenylmethoxybenzene.
What is the SMILES notation for 1-[(3R)-5,5-difluoro-3-(2-phenylethylsulfanyl)pent-4-enyl]-4-phenylmethoxybenzene?
The canonical SMILES for 1-[(3R)-5,5-difluoro-3-(2-phenylethylsulfanyl)pent-4-enyl]-4-phenylmethoxybenzene is FC(F)=C[C@@H](CCc1ccc(OCc2ccccc2)cc1)SCCc1ccccc1.
What is the InChIKey of 1-[(3R)-5,5-difluoro-3-(2-phenylethylsulfanyl)pent-4-enyl]-4-phenylmethoxybenzene?
The InChIKey is IOVVXDHDJUBGPP-RUZDIDTESA-N. The full InChI is InChI=1S/C26H26F2OS/c27-26(28)19-25(30-18-17-21-7-3-1-4-8-21)16-13-22-11-14-24(15-12-22)29-20-23-9-5-2-6-10-23/h1-12,14-15,19,25H,13,16-18,20H2/t25-/m1/s1.
What are the key properties of 1-[(3R)-5,5-difluoro-3-(2-phenylethylsulfanyl)pent-4-enyl]-4-phenylmethoxybenzene?
1-[(3R)-5,5-difluoro-3-(2-phenylethylsulfanyl)pent-4-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-[(3R)-5,5-difluoro-3-(2-phenylethylsulfanyl)pent-4-enyl]-4-phenylmethoxybenzene is sourced from PubChem (CID 162623262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).