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

C14H18ClFOS — CID 103039599

IUPAC1-(3-chloro-4-fluorophenyl)-3-cyclopentylsulfanylpropan-2-ol
SMILESOC(CSC1CCCC1)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H18ClFOS/c15-13-8-10(5-6-14(13)16)7-11(17)9-18-12-3-1-2-4-12/h5-6,8,11-12,17H,1-4,7,9H2
InChIKeyWYSATLBWZHUROW-UHFFFAOYSA-N
MW288.81 g/mol
LogP4.06
Rot. Bonds5

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

1-(3-chloro-4-fluorophenyl)-3-cyclopentylsulfanylpropan-2-ol (PubChem CID 103039599) has the molecular formula C14H18ClFOS and a molecular weight of 288.81 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-cyclopentylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-cyclopentylsulfanylpropan-2-ol
PubChem CID103039599
Molecular FormulaC14H18ClFOS
Molecular Weight288.81 g/mol
Exact Mass288.08
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-cyclopentylsulfanylpropan-2-ol
SMILESOC(CSC1CCCC1)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H18ClFOS/c15-13-8-10(5-6-14(13)16)7-11(17)9-18-12-3-1-2-4-12/h5-6,8,11-12,17H,1-4,7,9H2
InChIKeyWYSATLBWZHUROW-UHFFFAOYSA-N
XLogP4.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.81
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentylsulfanyl-3-(3,4-dichlorophenyl)propan-2-ol
CID 65138589
1-(4-chlorophenyl)-3-cyclopentylsulfanylpropan-2-ol
CID 65138542
1-(3-chloro-4-fluorophenyl)-4-cyclopentylbutan-2-ol
CID 103043661
1-(3-chloro-4-fluorophenyl)-3-cyclopentylsulfanylpropan-2-one
CID 103039381
1-cyclopentylsulfanyl-3-(4-ethylphenyl)propan-2-ol
CID 65138544
1-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanylpropan-2-one
CID 103039382
1-cyclohexylsulfanyl-3-(4-iodophenyl)propan-2-ol
CID 65479114
2-cyclopentylsulfanyl-1-(2,5-dichlorophenyl)ethanol
CID 60981166
1-(4-bromophenyl)sulfanyl-3-(3-chloro-4-fluorophenyl)propan-2-ol
CID 103039620
[1-(4-chloro-3-fluorophenyl)-3-cyclohexylsulfanylpropan-2-yl]hydrazine
CID 107895084
1-(4-chloro-3-fluorophenyl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine
CID 107884779
1-(3-chloro-4-fluorophenyl)-4-methylpentan-2-ol
CID 103039007

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-cyclopentylsulfanylpropan-2-ol?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-cyclopentylsulfanylpropan-2-ol (CID 103039599) is 1-(3-chloro-4-fluorophenyl)-3-cyclopentylsulfanylpropan-2-ol.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-cyclopentylsulfanylpropan-2-ol?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-cyclopentylsulfanylpropan-2-ol is OC(CSC1CCCC1)Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-cyclopentylsulfanylpropan-2-ol?
The InChIKey is WYSATLBWZHUROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFOS/c15-13-8-10(5-6-14(13)16)7-11(17)9-18-12-3-1-2-4-12/h5-6,8,11-12,17H,1-4,7,9H2.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-cyclopentylsulfanylpropan-2-ol?
1-(3-chloro-4-fluorophenyl)-3-cyclopentylsulfanylpropan-2-ol has a molecular weight of 288.81 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-cyclopentylsulfanylpropan-2-ol is sourced from PubChem (CID 103039599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).