3-(4-cyclopropylsulfanyl-3-fluorophenyl)propan-1-ol

C12H15FOS — CID 117325748

IUPAC3-(4-cyclopropylsulfanyl-3-fluorophenyl)propan-1-ol
SMILESOCCCc1ccc(SC2CC2)c(F)c1
InChIInChI=1S/C12H15FOS/c13-11-8-9(2-1-7-14)3-6-12(11)15-10-4-5-10/h3,6,8,10,14H,1-2,4-5,7H2
InChIKeyCJPKJASYFPCTBM-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.01
Rot. Bonds5

About 3-(4-cyclopropylsulfanyl-3-fluorophenyl)propan-1-ol

3-(4-cyclopropylsulfanyl-3-fluorophenyl)propan-1-ol (PubChem CID 117325748) has the molecular formula C12H15FOS and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-(4-cyclopropylsulfanyl-3-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-(4-cyclopropylsulfanyl-3-fluorophenyl)propan-1-ol
PubChem CID117325748
Molecular FormulaC12H15FOS
Molecular Weight226.32 g/mol
Exact Mass226.08
IUPAC Name3-(4-cyclopropylsulfanyl-3-fluorophenyl)propan-1-ol
SMILESOCCCc1ccc(SC2CC2)c(F)c1
InChIInChI=1S/C12H15FOS/c13-11-8-9(2-1-7-14)3-6-12(11)15-10-4-5-10/h3,6,8,10,14H,1-2,4-5,7H2
InChIKeyCJPKJASYFPCTBM-UHFFFAOYSA-N
XLogP3.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-bromo-4-cyclopropylsulfanylphenyl)propan-1-ol
CID 117463287
4-[3-fluoro-4-(oxetan-3-ylsulfanyl)phenyl]butanoic acid
CID 117429053
3-(4-cyclohexyl-3-fluorophenyl)propan-1-ol
CID 117345509
N-[(4-cyclopentylsulfanyl-3-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 63814069
N-[[3-fluoro-4-(oxetan-3-ylsulfanyl)phenyl]methyl]propan-2-amine
CID 79332857
3-[6-(3-hydroxypropyl)naphthalen-2-yl]propan-1-ol
CID 19907378
3-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]propan-1-ol
CID 117438220
2-[3-fluoro-4-(oxetan-3-ylsulfanyl)phenyl]acetonitrile
CID 84788971
3-(4-chloro-3,5-difluorophenyl)propan-1-ol
CID 66733620
(1R)-1-(4-cyclopentylsulfanyl-3-fluorophenyl)ethanol
CID 78951666
[2-fluoro-5-(3-hydroxypropyl)phenyl] acetate
CID 68980533
4-(3-fluoro-4-phenylphenyl)butan-1-ol
CID 172805530

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropylsulfanyl-3-fluorophenyl)propan-1-ol?
The IUPAC name of 3-(4-cyclopropylsulfanyl-3-fluorophenyl)propan-1-ol (CID 117325748) is 3-(4-cyclopropylsulfanyl-3-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-(4-cyclopropylsulfanyl-3-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-(4-cyclopropylsulfanyl-3-fluorophenyl)propan-1-ol is OCCCc1ccc(SC2CC2)c(F)c1.
What is the InChIKey of 3-(4-cyclopropylsulfanyl-3-fluorophenyl)propan-1-ol?
The InChIKey is CJPKJASYFPCTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FOS/c13-11-8-9(2-1-7-14)3-6-12(11)15-10-4-5-10/h3,6,8,10,14H,1-2,4-5,7H2.
What are the key properties of 3-(4-cyclopropylsulfanyl-3-fluorophenyl)propan-1-ol?
3-(4-cyclopropylsulfanyl-3-fluorophenyl)propan-1-ol has a molecular weight of 226.32 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropylsulfanyl-3-fluorophenyl)propan-1-ol is sourced from PubChem (CID 117325748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).