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

C18H19FOS — CID 162623337

IUPAC1-[(E,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-KAUXGEHWSA-N
MW302.41 g/mol
LogP5.27
Rot. Bonds7

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

1-[(E,3R)-1-fluoro-5-phenylpent-1-en-3-yl]sulfanyl-4-methoxybenzene (PubChem CID 162623337) has the molecular formula C18H19FOS and a molecular weight of 302.41 g/mol. Its IUPAC name is 1-[(E,3R)-1-fluoro-5-phenylpent-1-en-3-yl]sulfanyl-4-methoxybenzene.

Molecular Properties

Compound Name1-[(E,3R)-1-fluoro-5-phenylpent-1-en-3-yl]sulfanyl-4-methoxybenzene
PubChem CID162623337
Molecular FormulaC18H19FOS
Molecular Weight302.41 g/mol
Exact Mass302.11
IUPAC Name1-[(E,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-KAUXGEHWSA-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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E,3R)-1-fluoro-5-phenylpent-1-en-3-yl]sulfanyl-4-methoxybenzene?
The IUPAC name of 1-[(E,3R)-1-fluoro-5-phenylpent-1-en-3-yl]sulfanyl-4-methoxybenzene (CID 162623337) is 1-[(E,3R)-1-fluoro-5-phenylpent-1-en-3-yl]sulfanyl-4-methoxybenzene.
What is the SMILES notation for 1-[(E,3R)-1-fluoro-5-phenylpent-1-en-3-yl]sulfanyl-4-methoxybenzene?
The canonical SMILES for 1-[(E,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-[(E,3R)-1-fluoro-5-phenylpent-1-en-3-yl]sulfanyl-4-methoxybenzene?
The InChIKey is UOBNHHOMHJOIOF-KAUXGEHWSA-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-[(E,3R)-1-fluoro-5-phenylpent-1-en-3-yl]sulfanyl-4-methoxybenzene?
1-[(E,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-[(E,3R)-1-fluoro-5-phenylpent-1-en-3-yl]sulfanyl-4-methoxybenzene is sourced from PubChem (CID 162623337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).