3-(2-fluoro-4-phenylsulfanylcyclohexa-2,4-dien-1-yl)propan-1-ol

C15H17FOS — CID 143624673

IUPAC3-(2-fluoro-4-phenylsulfanylcyclohexa-2,4-dien-1-yl)propan-1-ol
SMILESOCCCC1CC=C(Sc2ccccc2)C=C1F
InChIInChI=1S/C15H17FOS/c16-15-11-14(9-8-12(15)5-4-10-17)18-13-6-2-1-3-7-13/h1-3,6-7,9,11-12,17H,4-5,8,10H2
InChIKeyNACHYOXIAMATQM-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.31
Rot. Bonds5

About 3-(2-fluoro-4-phenylsulfanylcyclohexa-2,4-dien-1-yl)propan-1-ol

3-(2-fluoro-4-phenylsulfanylcyclohexa-2,4-dien-1-yl)propan-1-ol (PubChem CID 143624673) has the molecular formula C15H17FOS and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-(2-fluoro-4-phenylsulfanylcyclohexa-2,4-dien-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2-fluoro-4-phenylsulfanylcyclohexa-2,4-dien-1-yl)propan-1-ol
PubChem CID143624673
Molecular FormulaC15H17FOS
Molecular Weight264.37 g/mol
Exact Mass264.10
IUPAC Name3-(2-fluoro-4-phenylsulfanylcyclohexa-2,4-dien-1-yl)propan-1-ol
SMILESOCCCC1CC=C(Sc2ccccc2)C=C1F
InChIInChI=1S/C15H17FOS/c16-15-11-14(9-8-12(15)5-4-10-17)18-13-6-2-1-3-7-13/h1-3,6-7,9,11-12,17H,4-5,8,10H2
InChIKeyNACHYOXIAMATQM-UHFFFAOYSA-N
XLogP4.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(Phenylthio)methyl]cyclohexanol
CID 329393
5-Phenylsulfanylpentan-1-ol
CID 346015
(3R)-3-[bis(benzenesulfonyl)-fluoromethyl]hexan-1-ol
CID 101483657
1-(1-Phenylsulfanylcyclohexyl)butane-1,4-diol
CID 11242975
2-Methyl-2-phenylsulfanylheptan-3-ol
CID 11356852
(1S, 2S, 7S)-2,7-Dimethyl-4-phenylsulfanylcyclohepta-3,5-dienol
CID 11207350
3-Phenyl-3-(phenylthio)propan-1-ol
CID 12422970
1-Phenylsulfanylpentan-1-ol
CID 67695218
(1R,2R,5R)-5-methyl-2-phenylsulfanylcyclohexan-1-ol
CID 154716660
1-[Difluoro(phenylsulfanyl)methyl]cyclohexan-1-ol
CID 11230657
4-(4-Fluorophenyl)sulfanylbutan-1-ol
CID 43510096
3-[2-(3-Fluoro-phenylsulfanyl)-phenyl]-propan-1-ol
CID 69007524

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-phenylsulfanylcyclohexa-2,4-dien-1-yl)propan-1-ol?
The IUPAC name of 3-(2-fluoro-4-phenylsulfanylcyclohexa-2,4-dien-1-yl)propan-1-ol (CID 143624673) is 3-(2-fluoro-4-phenylsulfanylcyclohexa-2,4-dien-1-yl)propan-1-ol.
What is the SMILES notation for 3-(2-fluoro-4-phenylsulfanylcyclohexa-2,4-dien-1-yl)propan-1-ol?
The canonical SMILES for 3-(2-fluoro-4-phenylsulfanylcyclohexa-2,4-dien-1-yl)propan-1-ol is OCCCC1CC=C(Sc2ccccc2)C=C1F.
What is the InChIKey of 3-(2-fluoro-4-phenylsulfanylcyclohexa-2,4-dien-1-yl)propan-1-ol?
The InChIKey is NACHYOXIAMATQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FOS/c16-15-11-14(9-8-12(15)5-4-10-17)18-13-6-2-1-3-7-13/h1-3,6-7,9,11-12,17H,4-5,8,10H2.
What are the key properties of 3-(2-fluoro-4-phenylsulfanylcyclohexa-2,4-dien-1-yl)propan-1-ol?
3-(2-fluoro-4-phenylsulfanylcyclohexa-2,4-dien-1-yl)propan-1-ol has a molecular weight of 264.37 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-phenylsulfanylcyclohexa-2,4-dien-1-yl)propan-1-ol is sourced from PubChem (CID 143624673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).