3-(4-fluoro-2-methylsulfanylphenyl)propan-1-ol

C10H13FOS — CID 143919696

IUPAC3-(4-fluoro-2-methylsulfanylphenyl)propan-1-ol
SMILESCSc1cc(F)ccc1CCCO
InChIInChI=1S/C10H13FOS/c1-13-10-7-9(11)5-4-8(10)3-2-6-12/h4-5,7,12H,2-3,6H2,1H3
InChIKeyBLYZZFSJJIBBMN-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.47
Rot. Bonds4

About 3-(4-fluoro-2-methylsulfanylphenyl)propan-1-ol

3-(4-fluoro-2-methylsulfanylphenyl)propan-1-ol (PubChem CID 143919696) has the molecular formula C10H13FOS and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-(4-fluoro-2-methylsulfanylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(4-fluoro-2-methylsulfanylphenyl)propan-1-ol
PubChem CID143919696
Molecular FormulaC10H13FOS
Molecular Weight200.28 g/mol
Exact Mass200.07
IUPAC Name3-(4-fluoro-2-methylsulfanylphenyl)propan-1-ol
SMILESCSc1cc(F)ccc1CCCO
InChIInChI=1S/C10H13FOS/c1-13-10-7-9(11)5-4-8(10)3-2-6-12/h4-5,7,12H,2-3,6H2,1H3
InChIKeyBLYZZFSJJIBBMN-UHFFFAOYSA-N
XLogP2.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-methylsulfanylphenyl)propan-1-ol?
The IUPAC name of 3-(4-fluoro-2-methylsulfanylphenyl)propan-1-ol (CID 143919696) is 3-(4-fluoro-2-methylsulfanylphenyl)propan-1-ol.
What is the SMILES notation for 3-(4-fluoro-2-methylsulfanylphenyl)propan-1-ol?
The canonical SMILES for 3-(4-fluoro-2-methylsulfanylphenyl)propan-1-ol is CSc1cc(F)ccc1CCCO.
What is the InChIKey of 3-(4-fluoro-2-methylsulfanylphenyl)propan-1-ol?
The InChIKey is BLYZZFSJJIBBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FOS/c1-13-10-7-9(11)5-4-8(10)3-2-6-12/h4-5,7,12H,2-3,6H2,1H3.
What are the key properties of 3-(4-fluoro-2-methylsulfanylphenyl)propan-1-ol?
3-(4-fluoro-2-methylsulfanylphenyl)propan-1-ol has a molecular weight of 200.28 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-methylsulfanylphenyl)propan-1-ol is sourced from PubChem (CID 143919696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).