1-(2-chloro-4-fluorophenyl)-5-methylsulfanylpentan-2-ol

C12H16ClFOS — CID 103089856

IUPAC1-(2-chloro-4-fluorophenyl)-5-methylsulfanylpentan-2-ol
SMILESCSCCCC(O)Cc1ccc(F)cc1Cl
InChIInChI=1S/C12H16ClFOS/c1-16-6-2-3-11(15)7-9-4-5-10(14)8-12(9)13/h4-5,8,11,15H,2-3,6-7H2,1H3
InChIKeyUASOXLPZXCYOLD-UHFFFAOYSA-N
MW262.78 g/mol
LogP3.53
Rot. Bonds6

About 1-(2-chloro-4-fluorophenyl)-5-methylsulfanylpentan-2-ol

1-(2-chloro-4-fluorophenyl)-5-methylsulfanylpentan-2-ol (PubChem CID 103089856) has the molecular formula C12H16ClFOS and a molecular weight of 262.78 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-5-methylsulfanylpentan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-5-methylsulfanylpentan-2-ol
PubChem CID103089856
Molecular FormulaC12H16ClFOS
Molecular Weight262.78 g/mol
Exact Mass262.06
IUPAC Name1-(2-chloro-4-fluorophenyl)-5-methylsulfanylpentan-2-ol
SMILESCSCCCC(O)Cc1ccc(F)cc1Cl
InChIInChI=1S/C12H16ClFOS/c1-16-6-2-3-11(15)7-9-4-5-10(14)8-12(9)13/h4-5,8,11,15H,2-3,6-7H2,1H3
InChIKeyUASOXLPZXCYOLD-UHFFFAOYSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 53.53
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-(2-chloro-4-fluorophenyl)dodecan-2-ol
CID 63410954
(2S)-1-(2-chloro-4-fluorophenyl)pentan-2-ol
CID 94505356
1-(2-chloro-4-fluorophenyl)pentan-2-ol
CID 62607073
1-(3,4-dichlorophenyl)-5-methylsulfanylpentan-2-ol
CID 103089799
1-(2-chloro-4-fluorophenyl)-4-(diethylamino)butan-2-ol
CID 79086787
1-(2-fluorophenyl)-5-methylsulfanylpentan-2-ol
CID 70305624
1-tert-butylsulfanyl-3-(2-chloro-4-fluorophenyl)propan-2-ol
CID 65132928
1-(2-chloro-4-fluorophenyl)-5-thiophen-2-ylpentan-2-ol
CID 105086949
1-(4-chloro-2-fluorophenyl)-4-methylsulfanylbutan-2-ol
CID 114852183
1-(2-chloro-4-fluorophenyl)hex-4-yn-2-ol
CID 63035454
1-(2-chloro-4-fluorophenyl)-4-(4-methoxyphenyl)butan-2-ol
CID 65444557
1-(2-chloro-4-fluorophenyl)-3-phenylsulfanylpropan-2-ol
CID 65142299

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-5-methylsulfanylpentan-2-ol?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-5-methylsulfanylpentan-2-ol (CID 103089856) is 1-(2-chloro-4-fluorophenyl)-5-methylsulfanylpentan-2-ol.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-5-methylsulfanylpentan-2-ol?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-5-methylsulfanylpentan-2-ol is CSCCCC(O)Cc1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-5-methylsulfanylpentan-2-ol?
The InChIKey is UASOXLPZXCYOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFOS/c1-16-6-2-3-11(15)7-9-4-5-10(14)8-12(9)13/h4-5,8,11,15H,2-3,6-7H2,1H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-5-methylsulfanylpentan-2-ol?
1-(2-chloro-4-fluorophenyl)-5-methylsulfanylpentan-2-ol has a molecular weight of 262.78 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-5-methylsulfanylpentan-2-ol is sourced from PubChem (CID 103089856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).