4-(3,5-dimethylphenyl)-2,6-di(propan-2-yl)phenol

C20H26O — CID 102112540

IUPAC4-(3,5-dimethylphenyl)-2,6-di(propan-2-yl)phenol
SMILESCc1cc(C)cc(-c2cc(C(C)C)c(O)c(C(C)C)c2)c1
InChIInChI=1S/C20H26O/c1-12(2)18-10-17(11-19(13(3)4)20(18)21)16-8-14(5)7-15(6)9-16/h7-13,21H,1-6H3
InChIKeyZCSIBZPRYNHQIS-UHFFFAOYSA-N
MW282.43 g/mol
LogP5.92
Rot. Bonds3

About 4-(3,5-dimethylphenyl)-2,6-di(propan-2-yl)phenol

4-(3,5-dimethylphenyl)-2,6-di(propan-2-yl)phenol (PubChem CID 102112540) has the molecular formula C20H26O and a molecular weight of 282.43 g/mol. Its IUPAC name is 4-(3,5-dimethylphenyl)-2,6-di(propan-2-yl)phenol.

Molecular Properties

Compound Name4-(3,5-dimethylphenyl)-2,6-di(propan-2-yl)phenol
PubChem CID102112540
Molecular FormulaC20H26O
Molecular Weight282.43 g/mol
Exact Mass282.20
IUPAC Name4-(3,5-dimethylphenyl)-2,6-di(propan-2-yl)phenol
SMILESCc1cc(C)cc(-c2cc(C(C)C)c(O)c(C(C)C)c2)c1
InChIInChI=1S/C20H26O/c1-12(2)18-10-17(11-19(13(3)4)20(18)21)16-8-14(5)7-15(6)9-16/h7-13,21H,1-6H3
InChIKeyZCSIBZPRYNHQIS-UHFFFAOYSA-N
XLogP5.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenyl)-2,6-di(propan-2-yl)phenol?
The IUPAC name of 4-(3,5-dimethylphenyl)-2,6-di(propan-2-yl)phenol (CID 102112540) is 4-(3,5-dimethylphenyl)-2,6-di(propan-2-yl)phenol.
What is the SMILES notation for 4-(3,5-dimethylphenyl)-2,6-di(propan-2-yl)phenol?
The canonical SMILES for 4-(3,5-dimethylphenyl)-2,6-di(propan-2-yl)phenol is Cc1cc(C)cc(-c2cc(C(C)C)c(O)c(C(C)C)c2)c1.
What is the InChIKey of 4-(3,5-dimethylphenyl)-2,6-di(propan-2-yl)phenol?
The InChIKey is ZCSIBZPRYNHQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O/c1-12(2)18-10-17(11-19(13(3)4)20(18)21)16-8-14(5)7-15(6)9-16/h7-13,21H,1-6H3.
What are the key properties of 4-(3,5-dimethylphenyl)-2,6-di(propan-2-yl)phenol?
4-(3,5-dimethylphenyl)-2,6-di(propan-2-yl)phenol has a molecular weight of 282.43 g/mol, XLogP of 5.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenyl)-2,6-di(propan-2-yl)phenol is sourced from PubChem (CID 102112540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).