3-(4-hydroxyphenyl)-2-methylpropane-1-sulfonyl chloride

C10H13ClO3S — CID 115046426

IUPAC3-(4-hydroxyphenyl)-2-methylpropane-1-sulfonyl chloride
SMILESCC(Cc1ccc(O)cc1)CS(=O)(=O)Cl
InChIInChI=1S/C10H13ClO3S/c1-8(7-15(11,13)14)6-9-2-4-10(12)5-3-9/h2-5,8,12H,6-7H2,1H3
InChIKeyMSLZDTGWVDFFSC-UHFFFAOYSA-N
MW248.73 g/mol
LogP2.14
Rot. Bonds4

About 3-(4-hydroxyphenyl)-2-methylpropane-1-sulfonyl chloride

3-(4-hydroxyphenyl)-2-methylpropane-1-sulfonyl chloride (PubChem CID 115046426) has the molecular formula C10H13ClO3S and a molecular weight of 248.73 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-2-methylpropane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-2-methylpropane-1-sulfonyl chloride
PubChem CID115046426
Molecular FormulaC10H13ClO3S
Molecular Weight248.73 g/mol
Exact Mass248.03
IUPAC Name3-(4-hydroxyphenyl)-2-methylpropane-1-sulfonyl chloride
SMILESCC(Cc1ccc(O)cc1)CS(=O)(=O)Cl
InChIInChI=1S/C10H13ClO3S/c1-8(7-15(11,13)14)6-9-2-4-10(12)5-3-9/h2-5,8,12H,6-7H2,1H3
InChIKeyMSLZDTGWVDFFSC-UHFFFAOYSA-N
XLogP2.14
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.73
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-methyl-3-[4-(2-methylpropyl)phenyl]propyl]phenol
CID 166697370
4-(4-hydroxyphenyl)-3-methylbutanoic acid
CID 23378394
4-(3-amino-2-methylpropyl)phenol;ethane
CID 170743294
N-[(4-hydroxyphenyl)methyl]propane-2-sulfonamide
CID 115753665
4-(3-methoxy-2-methylpropyl)phenol
CID 143413207
3-(4-fluorophenyl)-2-hydroxypropane-1-sulfonyl chloride
CID 115047007
bis(4-[(2S)-2-(methylamino)propyl]phenol);sulfuric acid
CID 76968318
(2S)-3-(4-hydroxyphenyl)-2-(propan-2-ylsulfonylamino)propanoic acid
CID 61144542
4-(4-methyl-5-phenylpentyl)phenol
CID 158681288
4-(2,6,8-trimethylnonyl)phenol
CID 155208815
3-(3-hydroxyphenyl)-2-methylpropane-1-sulfonic acid
CID 115037807
4-[(2S)-2-aminopropyl]phenol;methanol
CID 142971966

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-2-methylpropane-1-sulfonyl chloride?
The IUPAC name of 3-(4-hydroxyphenyl)-2-methylpropane-1-sulfonyl chloride (CID 115046426) is 3-(4-hydroxyphenyl)-2-methylpropane-1-sulfonyl chloride.
What is the SMILES notation for 3-(4-hydroxyphenyl)-2-methylpropane-1-sulfonyl chloride?
The canonical SMILES for 3-(4-hydroxyphenyl)-2-methylpropane-1-sulfonyl chloride is CC(Cc1ccc(O)cc1)CS(=O)(=O)Cl.
What is the InChIKey of 3-(4-hydroxyphenyl)-2-methylpropane-1-sulfonyl chloride?
The InChIKey is MSLZDTGWVDFFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO3S/c1-8(7-15(11,13)14)6-9-2-4-10(12)5-3-9/h2-5,8,12H,6-7H2,1H3.
What are the key properties of 3-(4-hydroxyphenyl)-2-methylpropane-1-sulfonyl chloride?
3-(4-hydroxyphenyl)-2-methylpropane-1-sulfonyl chloride has a molecular weight of 248.73 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-2-methylpropane-1-sulfonyl chloride is sourced from PubChem (CID 115046426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).