1-(4-chloro-2-fluorophenyl)-3-ethylsulfanylpropan-1-ol

C11H14ClFOS — CID 116504660

IUPAC1-(4-chloro-2-fluorophenyl)-3-ethylsulfanylpropan-1-ol
SMILESCCSCCC(O)c1ccc(Cl)cc1F
InChIInChI=1S/C11H14ClFOS/c1-2-15-6-5-11(14)9-4-3-8(12)7-10(9)13/h3-4,7,11,14H,2,5-6H2,1H3
InChIKeyOMQJBUBCSPTBNH-UHFFFAOYSA-N
MW248.75 g/mol
LogP3.66
Rot. Bonds5

About 1-(4-chloro-2-fluorophenyl)-3-ethylsulfanylpropan-1-ol

1-(4-chloro-2-fluorophenyl)-3-ethylsulfanylpropan-1-ol (PubChem CID 116504660) has the molecular formula C11H14ClFOS and a molecular weight of 248.75 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-3-ethylsulfanylpropan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-3-ethylsulfanylpropan-1-ol
PubChem CID116504660
Molecular FormulaC11H14ClFOS
Molecular Weight248.75 g/mol
Exact Mass248.04
IUPAC Name1-(4-chloro-2-fluorophenyl)-3-ethylsulfanylpropan-1-ol
SMILESCCSCCC(O)c1ccc(Cl)cc1F
InChIInChI=1S/C11H14ClFOS/c1-2-15-6-5-11(14)9-4-3-8(12)7-10(9)13/h3-4,7,11,14H,2,5-6H2,1H3
InChIKeyOMQJBUBCSPTBNH-UHFFFAOYSA-N
XLogP3.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.75
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chloro-2-fluorophenyl)-3-(methylamino)propan-1-ol
CID 167001188
1-(4-chloro-2-fluorophenyl)-4-ethylsulfanylbutan-2-ol
CID 114852759
1-(4-chloro-2-fluorophenyl)-3-methylbutan-1-ol
CID 63082094
1-(4-chloro-2-fluorophenyl)-4-methylsulfonylbutan-1-ol
CID 63192126
1-(4-chloro-2-fluorophenyl)-3-methylbut-3-en-1-ol
CID 79177590
3-ethylsulfanyl-1-(3-fluoro-4-methylphenyl)propan-1-ol
CID 107128201
butyl 4-(4-chloro-2-fluorophenyl)-4-hydroxybutanoate
CID 114859603
1-(4-chloro-2-fluorophenyl)-2-(4-methylphenyl)ethanol
CID 63016785
3-ethylsulfanyl-1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 116504533
1-butan-2-yl-4-chloro-2-fluorobenzene
CID 54159004
(1S,2R)-1-amino-1-(4-chloro-2-fluorophenyl)propan-2-ol;hydrochloride
CID 171161283
1-(4-chloro-2-fluorophenyl)-5,5-dimethylhex-3-yn-1-ol
CID 114190163

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-ethylsulfanylpropan-1-ol?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-ethylsulfanylpropan-1-ol (CID 116504660) is 1-(4-chloro-2-fluorophenyl)-3-ethylsulfanylpropan-1-ol.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-3-ethylsulfanylpropan-1-ol?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-3-ethylsulfanylpropan-1-ol is CCSCCC(O)c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-3-ethylsulfanylpropan-1-ol?
The InChIKey is OMQJBUBCSPTBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFOS/c1-2-15-6-5-11(14)9-4-3-8(12)7-10(9)13/h3-4,7,11,14H,2,5-6H2,1H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-3-ethylsulfanylpropan-1-ol?
1-(4-chloro-2-fluorophenyl)-3-ethylsulfanylpropan-1-ol has a molecular weight of 248.75 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-3-ethylsulfanylpropan-1-ol is sourced from PubChem (CID 116504660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).