1-(3-chloro-2-fluorophenyl)-5-thiophen-2-ylpentan-2-ol

C15H16ClFOS — CID 102867600

IUPAC1-(3-chloro-2-fluorophenyl)-5-thiophen-2-ylpentan-2-ol
SMILESOC(CCCc1cccs1)Cc1cccc(Cl)c1F
InChIInChI=1S/C15H16ClFOS/c16-14-8-1-4-11(15(14)17)10-12(18)5-2-6-13-7-3-9-19-13/h1,3-4,7-9,12,18H,2,5-6,10H2
InChIKeyOFSUVBNYVZLBAH-UHFFFAOYSA-N
MW298.81 g/mol
LogP4.47
Rot. Bonds6

About 1-(3-chloro-2-fluorophenyl)-5-thiophen-2-ylpentan-2-ol

1-(3-chloro-2-fluorophenyl)-5-thiophen-2-ylpentan-2-ol (PubChem CID 102867600) has the molecular formula C15H16ClFOS and a molecular weight of 298.81 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-5-thiophen-2-ylpentan-2-ol.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-5-thiophen-2-ylpentan-2-ol
PubChem CID102867600
Molecular FormulaC15H16ClFOS
Molecular Weight298.81 g/mol
Exact Mass298.06
IUPAC Name1-(3-chloro-2-fluorophenyl)-5-thiophen-2-ylpentan-2-ol
SMILESOC(CCCc1cccs1)Cc1cccc(Cl)c1F
InChIInChI=1S/C15H16ClFOS/c16-14-8-1-4-11(15(14)17)10-12(18)5-2-6-13-7-3-9-19-13/h1,3-4,7-9,12,18H,2,5-6,10H2
InChIKeyOFSUVBNYVZLBAH-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

Analyze 1-(3-chloro-2-fluorophenyl)-5-thiophen-2-ylpentan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chloro-4-fluorophenyl)-5-thiophen-2-ylpentan-2-ol
CID 105086949
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-(3-chloro-2-fluorophenyl)-6-methylheptan-2-ol
CID 83160800
1-(3-chloro-2-fluorophenyl)-6,6,6-trifluorohexan-2-ol
CID 82805654
1-(3-chloro-2-fluorophenyl)nonan-2-ol
CID 82803298
1-(3-chloro-2-fluorophenyl)decan-2-ol
CID 82803410
1-amino-2-(3-chloro-2-fluorophenyl)-6-thiophen-2-ylhexan-3-ol
CID 82793341
1-(3-chloro-2-fluorophenyl)-5-methoxypentan-2-ol
CID 114855035
1-(2-chloro-3-fluorophenyl)-5-thiophen-2-ylpentan-2-amine
CID 105178908
1-(2,3-dichlorophenyl)-5-thiophen-2-ylpentan-2-amine
CID 107312356

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-5-thiophen-2-ylpentan-2-ol?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-5-thiophen-2-ylpentan-2-ol (CID 102867600) is 1-(3-chloro-2-fluorophenyl)-5-thiophen-2-ylpentan-2-ol.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-5-thiophen-2-ylpentan-2-ol?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-5-thiophen-2-ylpentan-2-ol is OC(CCCc1cccs1)Cc1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-5-thiophen-2-ylpentan-2-ol?
The InChIKey is OFSUVBNYVZLBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFOS/c16-14-8-1-4-11(15(14)17)10-12(18)5-2-6-13-7-3-9-19-13/h1,3-4,7-9,12,18H,2,5-6,10H2.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-5-thiophen-2-ylpentan-2-ol?
1-(3-chloro-2-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-(3-chloro-2-fluorophenyl)-5-thiophen-2-ylpentan-2-ol is sourced from PubChem (CID 102867600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).