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

C25H24F2OS — CID 162623349

IUPAC1-[(Z)-5,5-difluoro-4-(4-methylphenyl)sulfanylpent-3-enyl]-4-phenylmethoxybenzene
SMILESCc1ccc(S/C(=C\CCc2ccc(OCc3ccccc3)cc2)C(F)F)cc1
InChIInChI=1S/C25H24F2OS/c1-19-10-16-23(17-11-19)29-24(25(26)27)9-5-8-20-12-14-22(15-13-20)28-18-21-6-3-2-4-7-21/h2-4,6-7,9-17,25H,5,8,18H2,1H3/b24-9-
InChIKeyCWXIZLAGQPUKPN-OPVMPGTRSA-N
MW410.53 g/mol
LogP7.45
Rot. Bonds9

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

1-[(Z)-5,5-difluoro-4-(4-methylphenyl)sulfanylpent-3-enyl]-4-phenylmethoxybenzene (PubChem CID 162623349) has the molecular formula C25H24F2OS and a molecular weight of 410.53 g/mol. Its IUPAC name is 1-[(Z)-5,5-difluoro-4-(4-methylphenyl)sulfanylpent-3-enyl]-4-phenylmethoxybenzene.

Molecular Properties

Compound Name1-[(Z)-5,5-difluoro-4-(4-methylphenyl)sulfanylpent-3-enyl]-4-phenylmethoxybenzene
PubChem CID162623349
Molecular FormulaC25H24F2OS
Molecular Weight410.53 g/mol
Exact Mass410.15
IUPAC Name1-[(Z)-5,5-difluoro-4-(4-methylphenyl)sulfanylpent-3-enyl]-4-phenylmethoxybenzene
SMILESCc1ccc(S/C(=C\CCc2ccc(OCc3ccccc3)cc2)C(F)F)cc1
InChIInChI=1S/C25H24F2OS/c1-19-10-16-23(17-11-19)29-24(25(26)27)9-5-8-20-12-14-22(15-13-20)28-18-21-6-3-2-4-7-21/h2-4,6-7,9-17,25H,5,8,18H2,1H3/b24-9-
InChIKeyCWXIZLAGQPUKPN-OPVMPGTRSA-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

Analyze 1-[(Z)-5,5-difluoro-4-(4-methylphenyl)sulfanylpent-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

1-(Benzyloxy)-4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}benzene
CID 146026050
1-Methyl-4-[(4-phenoxyphenyl)sulfonyl]benzene
CID 759355
Bis (4-methylphenyl)-
CID 140202473
S-(4-methylphenyl) (4-methylphenoxy)ethanethioate
CID 799745
S-(4-methylphenyl) (2-methylphenoxy)ethanethioate
CID 800081
(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
1-Methoxy-4-(2-(4-(methylsulfonyl)phenyl)-1-phenylhex-1-enyl)benzene
CID 49864410

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-5,5-difluoro-4-(4-methylphenyl)sulfanylpent-3-enyl]-4-phenylmethoxybenzene?
The IUPAC name of 1-[(Z)-5,5-difluoro-4-(4-methylphenyl)sulfanylpent-3-enyl]-4-phenylmethoxybenzene (CID 162623349) is 1-[(Z)-5,5-difluoro-4-(4-methylphenyl)sulfanylpent-3-enyl]-4-phenylmethoxybenzene.
What is the SMILES notation for 1-[(Z)-5,5-difluoro-4-(4-methylphenyl)sulfanylpent-3-enyl]-4-phenylmethoxybenzene?
The canonical SMILES for 1-[(Z)-5,5-difluoro-4-(4-methylphenyl)sulfanylpent-3-enyl]-4-phenylmethoxybenzene is Cc1ccc(S/C(=C\CCc2ccc(OCc3ccccc3)cc2)C(F)F)cc1.
What is the InChIKey of 1-[(Z)-5,5-difluoro-4-(4-methylphenyl)sulfanylpent-3-enyl]-4-phenylmethoxybenzene?
The InChIKey is CWXIZLAGQPUKPN-OPVMPGTRSA-N. The full InChI is InChI=1S/C25H24F2OS/c1-19-10-16-23(17-11-19)29-24(25(26)27)9-5-8-20-12-14-22(15-13-20)28-18-21-6-3-2-4-7-21/h2-4,6-7,9-17,25H,5,8,18H2,1H3/b24-9-.
What are the key properties of 1-[(Z)-5,5-difluoro-4-(4-methylphenyl)sulfanylpent-3-enyl]-4-phenylmethoxybenzene?
1-[(Z)-5,5-difluoro-4-(4-methylphenyl)sulfanylpent-3-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-[(Z)-5,5-difluoro-4-(4-methylphenyl)sulfanylpent-3-enyl]-4-phenylmethoxybenzene is sourced from PubChem (CID 162623349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).