2,4-ditert-butyl-6-[(3,4-dimethylphenyl)-hydroxymethyl]phenol

C23H32O2 — CID 23592585

IUPAC2,4-ditert-butyl-6-[(3,4-dimethylphenyl)-hydroxymethyl]phenol
SMILESCc1ccc(C(O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)cc1C
InChIInChI=1S/C23H32O2/c1-14-9-10-16(11-15(14)2)20(24)18-12-17(22(3,4)5)13-19(21(18)25)23(6,7)8/h9-13,20,24-25H,1-8H3
InChIKeyALQGWCBZWOYALC-UHFFFAOYSA-N
MW340.51 g/mol
LogP5.69
Rot. Bonds2

About 2,4-ditert-butyl-6-[(3,4-dimethylphenyl)-hydroxymethyl]phenol

2,4-ditert-butyl-6-[(3,4-dimethylphenyl)-hydroxymethyl]phenol (PubChem CID 23592585) has the molecular formula C23H32O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[(3,4-dimethylphenyl)-hydroxymethyl]phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[(3,4-dimethylphenyl)-hydroxymethyl]phenol
PubChem CID23592585
Molecular FormulaC23H32O2
Molecular Weight340.51 g/mol
Exact Mass340.24
IUPAC Name2,4-ditert-butyl-6-[(3,4-dimethylphenyl)-hydroxymethyl]phenol
SMILESCc1ccc(C(O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)cc1C
InChIInChI=1S/C23H32O2/c1-14-9-10-16(11-15(14)2)20(24)18-12-17(22(3,4)5)13-19(21(18)25)23(6,7)8/h9-13,20,24-25H,1-8H3
InChIKeyALQGWCBZWOYALC-UHFFFAOYSA-N
XLogP5.69
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[(3,4-dimethylphenyl)-hydroxymethyl]phenol?
The IUPAC name of 2,4-ditert-butyl-6-[(3,4-dimethylphenyl)-hydroxymethyl]phenol (CID 23592585) is 2,4-ditert-butyl-6-[(3,4-dimethylphenyl)-hydroxymethyl]phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-[(3,4-dimethylphenyl)-hydroxymethyl]phenol?
The canonical SMILES for 2,4-ditert-butyl-6-[(3,4-dimethylphenyl)-hydroxymethyl]phenol is Cc1ccc(C(O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)cc1C.
What is the InChIKey of 2,4-ditert-butyl-6-[(3,4-dimethylphenyl)-hydroxymethyl]phenol?
The InChIKey is ALQGWCBZWOYALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O2/c1-14-9-10-16(11-15(14)2)20(24)18-12-17(22(3,4)5)13-19(21(18)25)23(6,7)8/h9-13,20,24-25H,1-8H3.
What are the key properties of 2,4-ditert-butyl-6-[(3,4-dimethylphenyl)-hydroxymethyl]phenol?
2,4-ditert-butyl-6-[(3,4-dimethylphenyl)-hydroxymethyl]phenol has a molecular weight of 340.51 g/mol, XLogP of 5.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[(3,4-dimethylphenyl)-hydroxymethyl]phenol is sourced from PubChem (CID 23592585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).