2-[(2-chlorophenyl)methyl]-5-methylsulfonylpentan-1-ol

C13H19ClO3S — CID 66058467

IUPAC2-[(2-chlorophenyl)methyl]-5-methylsulfonylpentan-1-ol
SMILESCS(=O)(=O)CCCC(CO)Cc1ccccc1Cl
InChIInChI=1S/C13H19ClO3S/c1-18(16,17)8-4-5-11(10-15)9-12-6-2-3-7-13(12)14/h2-3,6-7,11,15H,4-5,8-10H2,1H3
InChIKeyWSIBVNFFZUSDEC-UHFFFAOYSA-N
MW290.81 g/mol
LogP2.32
Rot. Bonds7

About 2-[(2-chlorophenyl)methyl]-5-methylsulfonylpentan-1-ol

2-[(2-chlorophenyl)methyl]-5-methylsulfonylpentan-1-ol (PubChem CID 66058467) has the molecular formula C13H19ClO3S and a molecular weight of 290.81 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-5-methylsulfonylpentan-1-ol.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-5-methylsulfonylpentan-1-ol
PubChem CID66058467
Molecular FormulaC13H19ClO3S
Molecular Weight290.81 g/mol
Exact Mass290.07
IUPAC Name2-[(2-chlorophenyl)methyl]-5-methylsulfonylpentan-1-ol
SMILESCS(=O)(=O)CCCC(CO)Cc1ccccc1Cl
InChIInChI=1S/C13H19ClO3S/c1-18(16,17)8-4-5-11(10-15)9-12-6-2-3-7-13(12)14/h2-3,6-7,11,15H,4-5,8-10H2,1H3
InChIKeyWSIBVNFFZUSDEC-UHFFFAOYSA-N
XLogP2.32
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.81
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2-chlorophenyl)methyl]-5-methylsulfonylpentan-1-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-chloro-2-[2-(chloromethyl)-5-methylsulfonylpentyl]benzene
CID 66048378
2-[(2-chlorophenyl)methyl]-5-methylsulfonyl-N-propan-2-ylpentan-1-amine
CID 63195694
1-(2-chlorophenyl)-4-methylsulfonylbutan-2-ol
CID 62606385
2-[(2-bromophenyl)methyl]-5-ethylsulfonylpentan-1-ol
CID 66039051
2-[(2-bromophenyl)methyl]-5-methylsulfonylpentan-1-amine
CID 63195597
2-[(2-chlorophenyl)methyl]-4-(2-methylpropoxy)butan-1-ol
CID 106459475
2-(2-chlorophenyl)-4-methylsulfonylbutan-1-ol
CID 79449397
2-[(2-chlorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol
CID 66058492
1-(3-chloro-2-fluorophenyl)-5-methylsulfonylpentan-2-amine
CID 82806041
5-methylsulfonyl-2-phenylpentan-1-ol
CID 66058366
2-[(2-chlorophenyl)methyl]-N-methyl-4-propan-2-ylsulfonylbutan-1-amine
CID 106729759
2-[(2-chlorophenyl)methyl]heptan-1-amine
CID 63497774

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-5-methylsulfonylpentan-1-ol?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-5-methylsulfonylpentan-1-ol (CID 66058467) is 2-[(2-chlorophenyl)methyl]-5-methylsulfonylpentan-1-ol.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-5-methylsulfonylpentan-1-ol?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-5-methylsulfonylpentan-1-ol is CS(=O)(=O)CCCC(CO)Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-5-methylsulfonylpentan-1-ol?
The InChIKey is WSIBVNFFZUSDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO3S/c1-18(16,17)8-4-5-11(10-15)9-12-6-2-3-7-13(12)14/h2-3,6-7,11,15H,4-5,8-10H2,1H3.
What are the key properties of 2-[(2-chlorophenyl)methyl]-5-methylsulfonylpentan-1-ol?
2-[(2-chlorophenyl)methyl]-5-methylsulfonylpentan-1-ol has a molecular weight of 290.81 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-5-methylsulfonylpentan-1-ol is sourced from PubChem (CID 66058467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).