1-(3,4-dichlorophenyl)-5-methylsulfanylpentan-2-ol

C12H16Cl2OS — CID 103089799

IUPAC1-(3,4-dichlorophenyl)-5-methylsulfanylpentan-2-ol
SMILESCSCCCC(O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H16Cl2OS/c1-16-6-2-3-10(15)7-9-4-5-11(13)12(14)8-9/h4-5,8,10,15H,2-3,6-7H2,1H3
InChIKeyYFDGGZAIPJSYSX-UHFFFAOYSA-N
MW279.23 g/mol
LogP4.04
Rot. Bonds6

About 1-(3,4-dichlorophenyl)-5-methylsulfanylpentan-2-ol

1-(3,4-dichlorophenyl)-5-methylsulfanylpentan-2-ol (PubChem CID 103089799) has the molecular formula C12H16Cl2OS and a molecular weight of 279.23 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-5-methylsulfanylpentan-2-ol.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-5-methylsulfanylpentan-2-ol
PubChem CID103089799
Molecular FormulaC12H16Cl2OS
Molecular Weight279.23 g/mol
Exact Mass278.03
IUPAC Name1-(3,4-dichlorophenyl)-5-methylsulfanylpentan-2-ol
SMILESCSCCCC(O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H16Cl2OS/c1-16-6-2-3-10(15)7-9-4-5-11(13)12(14)8-9/h4-5,8,10,15H,2-3,6-7H2,1H3
InChIKeyYFDGGZAIPJSYSX-UHFFFAOYSA-N
XLogP4.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.23
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3,4-dichlorophenyl)-5-methylsulfanylpentan-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-methylsulfanylpentan-2-ol
CID 103089856
1-(2,6-dichlorophenyl)-5-methylsulfanylpentan-2-ol
CID 103089720
1-(3-bromophenyl)-5-methylsulfanylpentan-2-ol
CID 103089773
1-(3,4-dichlorophenyl)-3-(4-ethylphenyl)propan-2-ol
CID 63410727
1-(3,4-dichlorophenyl)-3-ethylsulfanylpropan-2-ol
CID 65130613
5-methylsulfanyl-1-pyridin-3-ylpentan-2-ol
CID 103089755
1-(3,4-dichlorophenyl)-4,4-dimethylpentan-2-ol
CID 63046678
1-(3-chlorophenyl)-4-methylsulfanylbutan-2-ol
CID 63900166
1-(3,4-dichlorophenyl)-5-thiophen-2-ylpentan-2-ol
CID 63520188
sodium 5-(3,4-dichlorophenyl)-4-hydroxypentanoate
CID 23688261
1-(2-fluorophenyl)-5-methylsulfanylpentan-2-ol
CID 70305624
2-(3,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 63410604

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-5-methylsulfanylpentan-2-ol?
The IUPAC name of 1-(3,4-dichlorophenyl)-5-methylsulfanylpentan-2-ol (CID 103089799) is 1-(3,4-dichlorophenyl)-5-methylsulfanylpentan-2-ol.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-5-methylsulfanylpentan-2-ol?
The canonical SMILES for 1-(3,4-dichlorophenyl)-5-methylsulfanylpentan-2-ol is CSCCCC(O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-5-methylsulfanylpentan-2-ol?
The InChIKey is YFDGGZAIPJSYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2OS/c1-16-6-2-3-10(15)7-9-4-5-11(13)12(14)8-9/h4-5,8,10,15H,2-3,6-7H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-5-methylsulfanylpentan-2-ol?
1-(3,4-dichlorophenyl)-5-methylsulfanylpentan-2-ol has a molecular weight of 279.23 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-5-methylsulfanylpentan-2-ol is sourced from PubChem (CID 103089799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).