1-(4-fluorophenyl)sulfanylheptan-2-ol

C13H19FOS — CID 66070965

IUPAC1-(4-fluorophenyl)sulfanylheptan-2-ol
SMILESCCCCCC(O)CSc1ccc(F)cc1
InChIInChI=1S/C13H19FOS/c1-2-3-4-5-12(15)10-16-13-8-6-11(14)7-9-13/h6-9,12,15H,2-5,10H2,1H3
InChIKeyRZMBGGPOMVSSPH-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.86
Rot. Bonds7

About 1-(4-fluorophenyl)sulfanylheptan-2-ol

1-(4-fluorophenyl)sulfanylheptan-2-ol (PubChem CID 66070965) has the molecular formula C13H19FOS and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfanylheptan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfanylheptan-2-ol
PubChem CID66070965
Molecular FormulaC13H19FOS
Molecular Weight242.36 g/mol
Exact Mass242.11
IUPAC Name1-(4-fluorophenyl)sulfanylheptan-2-ol
SMILESCCCCCC(O)CSc1ccc(F)cc1
InChIInChI=1S/C13H19FOS/c1-2-3-4-5-12(15)10-16-13-8-6-11(14)7-9-13/h6-9,12,15H,2-5,10H2,1H3
InChIKeyRZMBGGPOMVSSPH-UHFFFAOYSA-N
XLogP3.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(4-fluorophenyl)sulfanylheptan-2-ol 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

(2S)-1-(4-methylphenyl)sulfanylheptan-2-ol
CID 102244246
(2S)-1-(4-methylphenyl)sulfanyldodecan-2-ol
CID 11232092
1-(4-bromophenyl)sulfanylundecan-2-ol
CID 66054287
1-phenylsulfanylundecan-2-ol
CID 65142065
1-(4-fluorophenyl)sulfanyl-N-methylnonan-2-amine
CID 66071202
1-(4-fluorophenyl)sulfanyl-N-propylheptan-2-amine
CID 66066503
1-(4-fluorophenyl)sulfanyl-N-propyloctan-2-amine
CID 66064735
1-(4-fluorophenyl)dodecan-1-ol
CID 65426373
1-(3-methylphenyl)sulfanylundecan-2-ol
CID 66086586
1-(4-fluorophenyl)sulfanylhex-4-yn-2-ol
CID 66071996
ethyl 4-(4-fluorophenyl)sulfanyl-3-hydroxybutanoate
CID 82775915
1-(4-fluorophenyl)sulfanyl-3-(2-methylpropylamino)propan-2-ol
CID 113317842

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfanylheptan-2-ol?
The IUPAC name of 1-(4-fluorophenyl)sulfanylheptan-2-ol (CID 66070965) is 1-(4-fluorophenyl)sulfanylheptan-2-ol.
What is the SMILES notation for 1-(4-fluorophenyl)sulfanylheptan-2-ol?
The canonical SMILES for 1-(4-fluorophenyl)sulfanylheptan-2-ol is CCCCCC(O)CSc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfanylheptan-2-ol?
The InChIKey is RZMBGGPOMVSSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FOS/c1-2-3-4-5-12(15)10-16-13-8-6-11(14)7-9-13/h6-9,12,15H,2-5,10H2,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfanylheptan-2-ol?
1-(4-fluorophenyl)sulfanylheptan-2-ol has a molecular weight of 242.36 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfanylheptan-2-ol is sourced from PubChem (CID 66070965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).