2-propan-2-yl-4-(4-propan-2-yloxyphenyl)sulfonylphenol

C18H22O4S — CID 19967672

IUPAC2-propan-2-yl-4-(4-propan-2-yloxyphenyl)sulfonylphenol
SMILESCC(C)Oc1ccc(S(=O)(=O)c2ccc(O)c(C(C)C)c2)cc1
InChIInChI=1S/C18H22O4S/c1-12(2)17-11-16(9-10-18(17)19)23(20,21)15-7-5-14(6-8-15)22-13(3)4/h5-13,19H,1-4H3
InChIKeyBDXLIVXPOCKRLO-UHFFFAOYSA-N
MW334.44 g/mol
LogP4.14
Rot. Bonds5

About 2-propan-2-yl-4-(4-propan-2-yloxyphenyl)sulfonylphenol

2-propan-2-yl-4-(4-propan-2-yloxyphenyl)sulfonylphenol (PubChem CID 19967672) has the molecular formula C18H22O4S and a molecular weight of 334.44 g/mol. Its IUPAC name is 2-propan-2-yl-4-(4-propan-2-yloxyphenyl)sulfonylphenol.

Molecular Properties

Compound Name2-propan-2-yl-4-(4-propan-2-yloxyphenyl)sulfonylphenol
PubChem CID19967672
Molecular FormulaC18H22O4S
Molecular Weight334.44 g/mol
Exact Mass334.12
IUPAC Name2-propan-2-yl-4-(4-propan-2-yloxyphenyl)sulfonylphenol
SMILESCC(C)Oc1ccc(S(=O)(=O)c2ccc(O)c(C(C)C)c2)cc1
InChIInChI=1S/C18H22O4S/c1-12(2)17-11-16(9-10-18(17)19)23(20,21)15-7-5-14(6-8-15)22-13(3)4/h5-13,19H,1-4H3
InChIKeyBDXLIVXPOCKRLO-UHFFFAOYSA-N
XLogP4.14
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-(benzenesulfonyl)-5-propan-2-yloxyphenol
CID 22133617
1-(4-propan-2-yloxyphenyl)-4-[4-(4-propan-2-ylphenyl)sulfonylphenoxy]benzene
CID 148598428
4-[4-[1-[4-[4-[1-[4-(4-hydroxyphenyl)sulfonylphenoxy]ethoxy]phenyl]phenoxy]ethoxy]phenyl]sulfonylphenol
CID 67017164
[4-(4-propan-2-yloxyphenyl)sulfonylphenyl] 4-chlorobenzoate
CID 139644161
1-(7-phenoxyheptoxy)-4-(4-propan-2-yloxyphenyl)sulfonylbenzene
CID 154513847
1-(2-phenylpropan-2-yl)-4-[4-(4-propan-2-yloxyphenyl)sulfonylphenoxy]benzene
CID 155694440
4-(4-propan-2-yloxyphenoxy)benzenesulfonyl chloride
CID 16740705
4-[4-[1-[1-[4-(4-hydroxyphenyl)sulfonylphenoxy]ethylsulfanylmethylsulfanyl]ethoxy]phenyl]sulfonylphenol
CID 87292826
2-amino-1-(4-propan-2-yloxyphenyl)sulfonylethanol
CID 117037408
2-nitro-4-propan-2-yloxyphenol
CID 11820026

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-(4-propan-2-yloxyphenyl)sulfonylphenol?
The IUPAC name of 2-propan-2-yl-4-(4-propan-2-yloxyphenyl)sulfonylphenol (CID 19967672) is 2-propan-2-yl-4-(4-propan-2-yloxyphenyl)sulfonylphenol.
What is the SMILES notation for 2-propan-2-yl-4-(4-propan-2-yloxyphenyl)sulfonylphenol?
The canonical SMILES for 2-propan-2-yl-4-(4-propan-2-yloxyphenyl)sulfonylphenol is CC(C)Oc1ccc(S(=O)(=O)c2ccc(O)c(C(C)C)c2)cc1.
What is the InChIKey of 2-propan-2-yl-4-(4-propan-2-yloxyphenyl)sulfonylphenol?
The InChIKey is BDXLIVXPOCKRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O4S/c1-12(2)17-11-16(9-10-18(17)19)23(20,21)15-7-5-14(6-8-15)22-13(3)4/h5-13,19H,1-4H3.
What are the key properties of 2-propan-2-yl-4-(4-propan-2-yloxyphenyl)sulfonylphenol?
2-propan-2-yl-4-(4-propan-2-yloxyphenyl)sulfonylphenol has a molecular weight of 334.44 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-(4-propan-2-yloxyphenyl)sulfonylphenol is sourced from PubChem (CID 19967672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).