2-chloro-4-(propan-2-ylsulfonylmethyl)phenol

C10H13ClO3S — CID 117220121

IUPAC2-chloro-4-(propan-2-ylsulfonylmethyl)phenol
SMILESCC(C)S(=O)(=O)Cc1ccc(O)c(Cl)c1
InChIInChI=1S/C10H13ClO3S/c1-7(2)15(13,14)6-8-3-4-10(12)9(11)5-8/h3-5,7,12H,6H2,1-2H3
InChIKeyZJERGNNCHHGGSF-UHFFFAOYSA-N
MW248.73 g/mol
LogP2.37
Rot. Bonds3

About 2-chloro-4-(propan-2-ylsulfonylmethyl)phenol

2-chloro-4-(propan-2-ylsulfonylmethyl)phenol (PubChem CID 117220121) has the molecular formula C10H13ClO3S and a molecular weight of 248.73 g/mol. Its IUPAC name is 2-chloro-4-(propan-2-ylsulfonylmethyl)phenol.

Molecular Properties

Compound Name2-chloro-4-(propan-2-ylsulfonylmethyl)phenol
PubChem CID117220121
Molecular FormulaC10H13ClO3S
Molecular Weight248.73 g/mol
Exact Mass248.03
IUPAC Name2-chloro-4-(propan-2-ylsulfonylmethyl)phenol
SMILESCC(C)S(=O)(=O)Cc1ccc(O)c(Cl)c1
InChIInChI=1S/C10H13ClO3S/c1-7(2)15(13,14)6-8-3-4-10(12)9(11)5-8/h3-5,7,12H,6H2,1-2H3
InChIKeyZJERGNNCHHGGSF-UHFFFAOYSA-N
XLogP2.37
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.73
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-4-(propan-2-ylsulfonylmethyl)phenol 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

2-chloro-1-propan-2-yl-4-(propan-2-ylsulfonylmethyl)benzene
CID 162184316
2-chloro-5-(propan-2-ylsulfonylmethyl)benzoic acid
CID 117221683
[3-chloro-4-(propan-2-ylsulfonylmethyl)phenyl]methanamine
CID 102670600
2-chloro-4-[(2,2-dimethylhydrazinyl)methyl]phenol
CID 83003612
1-(3-chloro-4-hydroxyphenyl)pentan-3-one
CID 154645816
2-chloro-4-[3-(3-chloro-4-hydroxyphenyl)propyl]phenol
CID 57252301
2-chloro-4-(nitrosomethyl)phenol
CID 123274158
2-chloro-4-[(dimethylamino)methyl]phenol
CID 4289948
2-(3-chloro-4-hydroxyphenyl)ethyl acetate
CID 139884995
3-(3-chloro-4-hydroxyphenyl)-2-(4-ethylphenyl)propanoic acid
CID 83952274
3-chloro-N-ethyl-4-hydroxy-N-propan-2-ylbenzamide
CID 43266072
[1-(3-chloro-4-hydroxyphenyl)-2-methylpropan-2-yl]carbamic acid
CID 91405796

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(propan-2-ylsulfonylmethyl)phenol?
The IUPAC name of 2-chloro-4-(propan-2-ylsulfonylmethyl)phenol (CID 117220121) is 2-chloro-4-(propan-2-ylsulfonylmethyl)phenol.
What is the SMILES notation for 2-chloro-4-(propan-2-ylsulfonylmethyl)phenol?
The canonical SMILES for 2-chloro-4-(propan-2-ylsulfonylmethyl)phenol is CC(C)S(=O)(=O)Cc1ccc(O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(propan-2-ylsulfonylmethyl)phenol?
The InChIKey is ZJERGNNCHHGGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO3S/c1-7(2)15(13,14)6-8-3-4-10(12)9(11)5-8/h3-5,7,12H,6H2,1-2H3.
What are the key properties of 2-chloro-4-(propan-2-ylsulfonylmethyl)phenol?
2-chloro-4-(propan-2-ylsulfonylmethyl)phenol has a molecular weight of 248.73 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(propan-2-ylsulfonylmethyl)phenol is sourced from PubChem (CID 117220121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).