4-[1-(4-hydroxy-3,5-dimethylphenyl)-2,2-dimethylpropyl]-2,6-dimethylphenol;N-methylmethanamine

C23H35NO2 — CID 23282271

IUPAC4-[1-(4-hydroxy-3,5-dimethylphenyl)-2,2-dimethylpropyl]-2,6-dimethylphenol;N-methylmethanamine
SMILESCNC.Cc1cc(C(c2cc(C)c(O)c(C)c2)C(C)(C)C)cc(C)c1O
InChIInChI=1S/C21H28O2.C2H7N/c1-12-8-16(9-13(2)19(12)22)18(21(5,6)7)17-10-14(3)20(23)15(4)11-17;1-3-2/h8-11,18,22-23H,1-7H3;3H,1-2H3
InChIKeyYWBBUDZREMFYBY-UHFFFAOYSA-N
MW357.54 g/mol
LogP5.35
Rot. Bonds2

About 4-[1-(4-hydroxy-3,5-dimethylphenyl)-2,2-dimethylpropyl]-2,6-dimethylphenol;N-methylmethanamine

4-[1-(4-hydroxy-3,5-dimethylphenyl)-2,2-dimethylpropyl]-2,6-dimethylphenol;N-methylmethanamine (PubChem CID 23282271) has the molecular formula C23H35NO2 and a molecular weight of 357.54 g/mol. Its IUPAC name is 4-[1-(4-hydroxy-3,5-dimethylphenyl)-2,2-dimethylpropyl]-2,6-dimethylphenol;N-methylmethanamine.

Molecular Properties

Compound Name4-[1-(4-hydroxy-3,5-dimethylphenyl)-2,2-dimethylpropyl]-2,6-dimethylphenol;N-methylmethanamine
PubChem CID23282271
Molecular FormulaC23H35NO2
Molecular Weight357.54 g/mol
Exact Mass357.27
IUPAC Name4-[1-(4-hydroxy-3,5-dimethylphenyl)-2,2-dimethylpropyl]-2,6-dimethylphenol;N-methylmethanamine
SMILESCNC.Cc1cc(C(c2cc(C)c(O)c(C)c2)C(C)(C)C)cc(C)c1O
InChIInChI=1S/C21H28O2.C2H7N/c1-12-8-16(9-13(2)19(12)22)18(21(5,6)7)17-10-14(3)20(23)15(4)11-17;1-3-2/h8-11,18,22-23H,1-7H3;3H,1-2H3
InChIKeyYWBBUDZREMFYBY-UHFFFAOYSA-N
XLogP5.35
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.54
LogP ≤ 55.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxy-3,5-dimethylphenyl)-2,2-dimethylpropyl]-2,6-dimethylphenol;N-methylmethanamine?
The IUPAC name of 4-[1-(4-hydroxy-3,5-dimethylphenyl)-2,2-dimethylpropyl]-2,6-dimethylphenol;N-methylmethanamine (CID 23282271) is 4-[1-(4-hydroxy-3,5-dimethylphenyl)-2,2-dimethylpropyl]-2,6-dimethylphenol;N-methylmethanamine.
What is the SMILES notation for 4-[1-(4-hydroxy-3,5-dimethylphenyl)-2,2-dimethylpropyl]-2,6-dimethylphenol;N-methylmethanamine?
The canonical SMILES for 4-[1-(4-hydroxy-3,5-dimethylphenyl)-2,2-dimethylpropyl]-2,6-dimethylphenol;N-methylmethanamine is CNC.Cc1cc(C(c2cc(C)c(O)c(C)c2)C(C)(C)C)cc(C)c1O.
What is the InChIKey of 4-[1-(4-hydroxy-3,5-dimethylphenyl)-2,2-dimethylpropyl]-2,6-dimethylphenol;N-methylmethanamine?
The InChIKey is YWBBUDZREMFYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O2.C2H7N/c1-12-8-16(9-13(2)19(12)22)18(21(5,6)7)17-10-14(3)20(23)15(4)11-17;1-3-2/h8-11,18,22-23H,1-7H3;3H,1-2H3.
What are the key properties of 4-[1-(4-hydroxy-3,5-dimethylphenyl)-2,2-dimethylpropyl]-2,6-dimethylphenol;N-methylmethanamine?
4-[1-(4-hydroxy-3,5-dimethylphenyl)-2,2-dimethylpropyl]-2,6-dimethylphenol;N-methylmethanamine has a molecular weight of 357.54 g/mol, XLogP of 5.35, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxy-3,5-dimethylphenyl)-2,2-dimethylpropyl]-2,6-dimethylphenol;N-methylmethanamine is sourced from PubChem (CID 23282271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).