1-(2-chloro-4-fluorophenyl)-5-thiophen-2-ylpentan-2-ol

C15H16ClFOS — CID 105086949

IUPAC1-(2-chloro-4-fluorophenyl)-5-thiophen-2-ylpentan-2-ol
SMILESOC(CCCc1cccs1)Cc1ccc(F)cc1Cl
InChIInChI=1S/C15H16ClFOS/c16-15-10-12(17)7-6-11(15)9-13(18)3-1-4-14-5-2-8-19-14/h2,5-8,10,13,18H,1,3-4,9H2
InChIKeyGBPPXONQOOODTF-UHFFFAOYSA-N
MW298.81 g/mol
LogP4.47
Rot. Bonds6

About 1-(2-chloro-4-fluorophenyl)-5-thiophen-2-ylpentan-2-ol

1-(2-chloro-4-fluorophenyl)-5-thiophen-2-ylpentan-2-ol (PubChem CID 105086949) has the molecular formula C15H16ClFOS and a molecular weight of 298.81 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-5-thiophen-2-ylpentan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-5-thiophen-2-ylpentan-2-ol
PubChem CID105086949
Molecular FormulaC15H16ClFOS
Molecular Weight298.81 g/mol
Exact Mass298.06
IUPAC Name1-(2-chloro-4-fluorophenyl)-5-thiophen-2-ylpentan-2-ol
SMILESOC(CCCc1cccs1)Cc1ccc(F)cc1Cl
InChIInChI=1S/C15H16ClFOS/c16-15-10-12(17)7-6-11(15)9-13(18)3-1-4-14-5-2-8-19-14/h2,5-8,10,13,18H,1,3-4,9H2
InChIKeyGBPPXONQOOODTF-UHFFFAOYSA-N
XLogP4.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-fluorophenyl)-5-thiophen-2-ylpentan-2-amine
CID 105133282
1-(3-chloro-2-fluorophenyl)-5-thiophen-2-ylpentan-2-ol
CID 102867600
1-(2,5-dichlorophenyl)-5-thiophen-2-ylpentan-2-ol
CID 105100465
1-(3,4-dichlorophenyl)-5-thiophen-2-ylpentan-2-ol
CID 63520188
1-(4-chloro-3-fluorophenyl)-5-thiophen-2-ylpentan-2-ol
CID 107894455
1-(2-chloro-4-fluorophenyl)pentan-2-ol
CID 62607073
(2S)-1-(2-chloro-4-fluorophenyl)pentan-2-ol
CID 94505356
1-(2-chloro-4-fluorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine
CID 63776191
1-(2-chloro-4-fluorophenyl)dodecan-2-ol
CID 63410954
1-(2-chloro-4-fluorophenyl)-5-methylsulfanylpentan-2-ol
CID 103089856
1-pyridin-4-yl-5-thiophen-2-ylpentan-2-ol
CID 66460697
1-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-2-ol
CID 114854584

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-5-thiophen-2-ylpentan-2-ol?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-5-thiophen-2-ylpentan-2-ol (CID 105086949) is 1-(2-chloro-4-fluorophenyl)-5-thiophen-2-ylpentan-2-ol.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-5-thiophen-2-ylpentan-2-ol?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-5-thiophen-2-ylpentan-2-ol is OC(CCCc1cccs1)Cc1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-5-thiophen-2-ylpentan-2-ol?
The InChIKey is GBPPXONQOOODTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFOS/c16-15-10-12(17)7-6-11(15)9-13(18)3-1-4-14-5-2-8-19-14/h2,5-8,10,13,18H,1,3-4,9H2.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-5-thiophen-2-ylpentan-2-ol?
1-(2-chloro-4-fluorophenyl)-5-thiophen-2-ylpentan-2-ol has a molecular weight of 298.81 g/mol, XLogP of 4.47, 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-thiophen-2-ylpentan-2-ol is sourced from PubChem (CID 105086949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).