1-[(Z,3R)-1-fluoro-5-phenylpent-1-en-3-yl]sulfanyl-4-methoxybenzene

C18H19FOS — CID 162623287

IUPAC1-[(Z,3R)-1-fluoro-5-phenylpent-1-en-3-yl]sulfanyl-4-methoxybenzene
SMILESCOc1ccc(S[C@@H](/C=C\F)CCc2ccccc2)cc1
InChIInChI=1S/C18H19FOS/c1-20-16-8-11-17(12-9-16)21-18(13-14-19)10-7-15-5-3-2-4-6-15/h2-6,8-9,11-14,18H,7,10H2,1H3/b14-13-/t18-/m1/s1
InChIKeyUOBNHHOMHJOIOF-SWNWVQGVSA-N
MW302.41 g/mol
LogP5.27
Rot. Bonds7

About 1-[(Z,3R)-1-fluoro-5-phenylpent-1-en-3-yl]sulfanyl-4-methoxybenzene

1-[(Z,3R)-1-fluoro-5-phenylpent-1-en-3-yl]sulfanyl-4-methoxybenzene (PubChem CID 162623287) has the molecular formula C18H19FOS and a molecular weight of 302.41 g/mol. Its IUPAC name is 1-[(Z,3R)-1-fluoro-5-phenylpent-1-en-3-yl]sulfanyl-4-methoxybenzene.

Molecular Properties

Compound Name1-[(Z,3R)-1-fluoro-5-phenylpent-1-en-3-yl]sulfanyl-4-methoxybenzene
PubChem CID162623287
Molecular FormulaC18H19FOS
Molecular Weight302.41 g/mol
Exact Mass302.11
IUPAC Name1-[(Z,3R)-1-fluoro-5-phenylpent-1-en-3-yl]sulfanyl-4-methoxybenzene
SMILESCOc1ccc(S[C@@H](/C=C\F)CCc2ccccc2)cc1
InChIInChI=1S/C18H19FOS/c1-20-16-8-11-17(12-9-16)21-18(13-14-19)10-7-15-5-3-2-4-6-15/h2-6,8-9,11-14,18H,7,10H2,1H3/b14-13-/t18-/m1/s1
InChIKeyUOBNHHOMHJOIOF-SWNWVQGVSA-N
XLogP5.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.41
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(Z,3R)-1-fluoro-5-phenylpent-1-en-3-yl]sulfanyl-4-methoxybenzene 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

3-(4-Methoxy-benzenesulfonyl)-4-phenyl-butane-1-thiol
CID 19366830
1-Iodo-4-[(4-methoxyphenyl)sulfanylmethyl]benzene
CID 65489349
3-Methoxy-4'-methylthio-trans-stilbene
CID 70695190
Bis (4-methylphenyl)-
CID 140202473
1-methoxy-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene
CID 70682593
1-Methoxy-4-[3-[(4-methoxyphenyl)methyldisulfanyl]prop-2-enylsulfanylmethyl]benzene
CID 70687330
3-(4-Methoxy-benzenesulfonyl)-3-phenyl-propane-1-thiol
CID 19366819
1-[3-(Benzyldisulfanyl)prop-2-enylsulfinylmethyl]-4-methoxybenzene
CID 70683085
1-Methoxy-4-[[3-[(4-methoxyphenyl)methylsulfinyl]prop-1-enyldisulfanyl]methyl]benzene
CID 70683086
Benzene, 1-methoxy-4-(phenylthio)-
CID 138547
Ethane, 1-(4-methoxyphenyl)-1-phenylthio-
CID 3045428
1-Methoxy-2-methyl-4-(methylthio)benzene
CID 592820

Frequently Asked Questions

What is the IUPAC name of 1-[(Z,3R)-1-fluoro-5-phenylpent-1-en-3-yl]sulfanyl-4-methoxybenzene?
The IUPAC name of 1-[(Z,3R)-1-fluoro-5-phenylpent-1-en-3-yl]sulfanyl-4-methoxybenzene (CID 162623287) is 1-[(Z,3R)-1-fluoro-5-phenylpent-1-en-3-yl]sulfanyl-4-methoxybenzene.
What is the SMILES notation for 1-[(Z,3R)-1-fluoro-5-phenylpent-1-en-3-yl]sulfanyl-4-methoxybenzene?
The canonical SMILES for 1-[(Z,3R)-1-fluoro-5-phenylpent-1-en-3-yl]sulfanyl-4-methoxybenzene is COc1ccc(S[C@@H](/C=C\F)CCc2ccccc2)cc1.
What is the InChIKey of 1-[(Z,3R)-1-fluoro-5-phenylpent-1-en-3-yl]sulfanyl-4-methoxybenzene?
The InChIKey is UOBNHHOMHJOIOF-SWNWVQGVSA-N. The full InChI is InChI=1S/C18H19FOS/c1-20-16-8-11-17(12-9-16)21-18(13-14-19)10-7-15-5-3-2-4-6-15/h2-6,8-9,11-14,18H,7,10H2,1H3/b14-13-/t18-/m1/s1.
What are the key properties of 1-[(Z,3R)-1-fluoro-5-phenylpent-1-en-3-yl]sulfanyl-4-methoxybenzene?
1-[(Z,3R)-1-fluoro-5-phenylpent-1-en-3-yl]sulfanyl-4-methoxybenzene has a molecular weight of 302.41 g/mol, XLogP of 5.27, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z,3R)-1-fluoro-5-phenylpent-1-en-3-yl]sulfanyl-4-methoxybenzene is sourced from PubChem (CID 162623287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).