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

C25H24F2OS — CID 162623312

IUPAC1-[(3R)-5,5-difluoro-3-(4-methylphenyl)sulfanylpent-4-enyl]-4-phenylmethoxybenzene
SMILESCc1ccc(SC(C=C(F)F)CCc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C25H24F2OS/c1-19-7-14-23(15-8-19)29-24(17-25(26)27)16-11-20-9-12-22(13-10-20)28-18-21-5-3-2-4-6-21/h2-10,12-15,17,24H,11,16,18H2,1H3
InChIKeyANSXRXMKHUJCPY-UHFFFAOYSA-N
MW410.53 g/mol
LogP7.45
Rot. Bonds9

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

1-[(3R)-5,5-difluoro-3-(4-methylphenyl)sulfanylpent-4-enyl]-4-phenylmethoxybenzene (PubChem CID 162623312) has the molecular formula C25H24F2OS and a molecular weight of 410.53 g/mol. Its IUPAC name is 1-[(3R)-5,5-difluoro-3-(4-methylphenyl)sulfanylpent-4-enyl]-4-phenylmethoxybenzene.

Molecular Properties

Compound Name1-[(3R)-5,5-difluoro-3-(4-methylphenyl)sulfanylpent-4-enyl]-4-phenylmethoxybenzene
PubChem CID162623312
Molecular FormulaC25H24F2OS
Molecular Weight410.53 g/mol
Exact Mass410.15
IUPAC Name1-[(3R)-5,5-difluoro-3-(4-methylphenyl)sulfanylpent-4-enyl]-4-phenylmethoxybenzene
SMILESCc1ccc(SC(C=C(F)F)CCc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C25H24F2OS/c1-19-7-14-23(15-8-19)29-24(17-25(26)27)16-11-20-9-12-22(13-10-20)28-18-21-5-3-2-4-6-21/h2-10,12-15,17,24H,11,16,18H2,1H3
InChIKeyANSXRXMKHUJCPY-UHFFFAOYSA-N
XLogP7.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.53
LogP ≤ 57.45
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
1-((2-Methyl-2-(4-((trifluoromethyl)thio)phenyl)propoxy)methyl)-3-phenoxybenzene
CID 3027314
Benzene, 1-((2-(4-(methylthio)phenyl)-2-methylpropoxy)methyl)-3-phenoxy-
CID 3067131
Benzene, 1-(4-methoxyphenoxy)-3-((2-(4-(methylthio)phenyl)-2-methylpropoxy)methyl)-
CID 3067180
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

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-5,5-difluoro-3-(4-methylphenyl)sulfanylpent-4-enyl]-4-phenylmethoxybenzene?
The IUPAC name of 1-[(3R)-5,5-difluoro-3-(4-methylphenyl)sulfanylpent-4-enyl]-4-phenylmethoxybenzene (CID 162623312) is 1-[(3R)-5,5-difluoro-3-(4-methylphenyl)sulfanylpent-4-enyl]-4-phenylmethoxybenzene.
What is the SMILES notation for 1-[(3R)-5,5-difluoro-3-(4-methylphenyl)sulfanylpent-4-enyl]-4-phenylmethoxybenzene?
The canonical SMILES for 1-[(3R)-5,5-difluoro-3-(4-methylphenyl)sulfanylpent-4-enyl]-4-phenylmethoxybenzene is Cc1ccc(SC(C=C(F)F)CCc2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of 1-[(3R)-5,5-difluoro-3-(4-methylphenyl)sulfanylpent-4-enyl]-4-phenylmethoxybenzene?
The InChIKey is ANSXRXMKHUJCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2OS/c1-19-7-14-23(15-8-19)29-24(17-25(26)27)16-11-20-9-12-22(13-10-20)28-18-21-5-3-2-4-6-21/h2-10,12-15,17,24H,11,16,18H2,1H3.
What are the key properties of 1-[(3R)-5,5-difluoro-3-(4-methylphenyl)sulfanylpent-4-enyl]-4-phenylmethoxybenzene?
1-[(3R)-5,5-difluoro-3-(4-methylphenyl)sulfanylpent-4-enyl]-4-phenylmethoxybenzene has a molecular weight of 410.53 g/mol, XLogP of 7.45, 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-(4-methylphenyl)sulfanylpent-4-enyl]-4-phenylmethoxybenzene is sourced from PubChem (CID 162623312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).