[4-[(5-tert-butyl-2-methylphenyl)sulfonylmethyl]phenyl]methanol

C19H24O3S — CID 110004753

IUPAC[4-[(5-tert-butyl-2-methylphenyl)sulfonylmethyl]phenyl]methanol
SMILESCc1ccc(C(C)(C)C)cc1S(=O)(=O)Cc1ccc(CO)cc1
InChIInChI=1S/C19H24O3S/c1-14-5-10-17(19(2,3)4)11-18(14)23(21,22)13-16-8-6-15(12-20)7-9-16/h5-11,20H,12-13H2,1-4H3
InChIKeySEFKFLNZDTUXKO-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.76
Rot. Bonds4

About [4-[(5-tert-butyl-2-methylphenyl)sulfonylmethyl]phenyl]methanol

[4-[(5-tert-butyl-2-methylphenyl)sulfonylmethyl]phenyl]methanol (PubChem CID 110004753) has the molecular formula C19H24O3S and a molecular weight of 332.47 g/mol. Its IUPAC name is [4-[(5-tert-butyl-2-methylphenyl)sulfonylmethyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(5-tert-butyl-2-methylphenyl)sulfonylmethyl]phenyl]methanol
PubChem CID110004753
Molecular FormulaC19H24O3S
Molecular Weight332.47 g/mol
Exact Mass332.14
IUPAC Name[4-[(5-tert-butyl-2-methylphenyl)sulfonylmethyl]phenyl]methanol
SMILESCc1ccc(C(C)(C)C)cc1S(=O)(=O)Cc1ccc(CO)cc1
InChIInChI=1S/C19H24O3S/c1-14-5-10-17(19(2,3)4)11-18(14)23(21,22)13-16-8-6-15(12-20)7-9-16/h5-11,20H,12-13H2,1-4H3
InChIKeySEFKFLNZDTUXKO-UHFFFAOYSA-N
XLogP3.76
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [4-[(5-tert-butyl-2-methylphenyl)sulfonylmethyl]phenyl]methanol?
The IUPAC name of [4-[(5-tert-butyl-2-methylphenyl)sulfonylmethyl]phenyl]methanol (CID 110004753) is [4-[(5-tert-butyl-2-methylphenyl)sulfonylmethyl]phenyl]methanol.
What is the SMILES notation for [4-[(5-tert-butyl-2-methylphenyl)sulfonylmethyl]phenyl]methanol?
The canonical SMILES for [4-[(5-tert-butyl-2-methylphenyl)sulfonylmethyl]phenyl]methanol is Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Cc1ccc(CO)cc1.
What is the InChIKey of [4-[(5-tert-butyl-2-methylphenyl)sulfonylmethyl]phenyl]methanol?
The InChIKey is SEFKFLNZDTUXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O3S/c1-14-5-10-17(19(2,3)4)11-18(14)23(21,22)13-16-8-6-15(12-20)7-9-16/h5-11,20H,12-13H2,1-4H3.
What are the key properties of [4-[(5-tert-butyl-2-methylphenyl)sulfonylmethyl]phenyl]methanol?
[4-[(5-tert-butyl-2-methylphenyl)sulfonylmethyl]phenyl]methanol has a molecular weight of 332.47 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-tert-butyl-2-methylphenyl)sulfonylmethyl]phenyl]methanol is sourced from PubChem (CID 110004753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).