2-(benzenesulfonyl)-5-propan-2-yloxyphenol

C15H16O4S — CID 22133617

IUPAC2-(benzenesulfonyl)-5-propan-2-yloxyphenol
SMILESCC(C)Oc1ccc(S(=O)(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C15H16O4S/c1-11(2)19-12-8-9-15(14(16)10-12)20(17,18)13-6-4-3-5-7-13/h3-11,16H,1-2H3
InChIKeyZWOPPFXEUFLIIR-UHFFFAOYSA-N
MW292.36 g/mol
LogP3.01
Rot. Bonds4

About 2-(benzenesulfonyl)-5-propan-2-yloxyphenol

2-(benzenesulfonyl)-5-propan-2-yloxyphenol (PubChem CID 22133617) has the molecular formula C15H16O4S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-5-propan-2-yloxyphenol.

Molecular Properties

Compound Name2-(benzenesulfonyl)-5-propan-2-yloxyphenol
PubChem CID22133617
Molecular FormulaC15H16O4S
Molecular Weight292.36 g/mol
Exact Mass292.08
IUPAC Name2-(benzenesulfonyl)-5-propan-2-yloxyphenol
SMILESCC(C)Oc1ccc(S(=O)(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C15H16O4S/c1-11(2)19-12-8-9-15(14(16)10-12)20(17,18)13-6-4-3-5-7-13/h3-11,16H,1-2H3
InChIKeyZWOPPFXEUFLIIR-UHFFFAOYSA-N
XLogP3.01
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-bis(benzenesulfonyl)-1-propan-2-yloxybenzene
CID 19349290
2-propan-2-yl-4-(4-propan-2-yloxyphenyl)sulfonylphenol
CID 19967672
2-(4-phenylmethoxyphenyl)sulfonylphenol
CID 14178379
2,5-di(propan-2-yloxy)phenol
CID 57426094
benzene-1,3-diol;3-propan-2-yloxyphenol
CID 159090607
1-(2-phenylpropan-2-yl)-4-[4-(4-propan-2-yloxyphenyl)sulfonylphenoxy]benzene
CID 155694440
2,6-dichloro-4-(4-propan-2-yloxyphenyl)sulfonylphenol
CID 86035044
4-[4-[3-[4-(4-propan-2-yloxyphenyl)sulfonylphenoxy]propoxy]phenyl]sulfonylphenol
CID 66718430
1-(7-phenoxyheptoxy)-4-(4-propan-2-yloxyphenyl)sulfonylbenzene
CID 154513847
5-(benzenesulfonyl)-3,4-dimethylbenzene-1,2-diol
CID 101301694
5-(benzenesulfonyl)-2,4-dimethylbenzene-1,3-diol
CID 101301695
(2R)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]propanoic acid
CID 42254919

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-5-propan-2-yloxyphenol?
The IUPAC name of 2-(benzenesulfonyl)-5-propan-2-yloxyphenol (CID 22133617) is 2-(benzenesulfonyl)-5-propan-2-yloxyphenol.
What is the SMILES notation for 2-(benzenesulfonyl)-5-propan-2-yloxyphenol?
The canonical SMILES for 2-(benzenesulfonyl)-5-propan-2-yloxyphenol is CC(C)Oc1ccc(S(=O)(=O)c2ccccc2)c(O)c1.
What is the InChIKey of 2-(benzenesulfonyl)-5-propan-2-yloxyphenol?
The InChIKey is ZWOPPFXEUFLIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4S/c1-11(2)19-12-8-9-15(14(16)10-12)20(17,18)13-6-4-3-5-7-13/h3-11,16H,1-2H3.
What are the key properties of 2-(benzenesulfonyl)-5-propan-2-yloxyphenol?
2-(benzenesulfonyl)-5-propan-2-yloxyphenol has a molecular weight of 292.36 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-5-propan-2-yloxyphenol is sourced from PubChem (CID 22133617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).