2-(2,3-ditert-butylphenyl)phenol

C20H26O — CID 19881409

IUPAC2-(2,3-ditert-butylphenyl)phenol
SMILESCC(C)(C)c1cccc(-c2ccccc2O)c1C(C)(C)C
InChIInChI=1S/C20H26O/c1-19(2,3)16-12-9-11-15(18(16)20(4,5)6)14-10-7-8-13-17(14)21/h7-13,21H,1-6H3
InChIKeyNNAKPCNFMLEKHI-UHFFFAOYSA-N
MW282.43 g/mol
LogP5.65
Rot. Bonds1

About 2-(2,3-ditert-butylphenyl)phenol

2-(2,3-ditert-butylphenyl)phenol (PubChem CID 19881409) has the molecular formula C20H26O and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-(2,3-ditert-butylphenyl)phenol.

Molecular Properties

Compound Name2-(2,3-ditert-butylphenyl)phenol
PubChem CID19881409
Molecular FormulaC20H26O
Molecular Weight282.43 g/mol
Exact Mass282.20
IUPAC Name2-(2,3-ditert-butylphenyl)phenol
SMILESCC(C)(C)c1cccc(-c2ccccc2O)c1C(C)(C)C
InChIInChI=1S/C20H26O/c1-19(2,3)16-12-9-11-15(18(16)20(4,5)6)14-10-7-8-13-17(14)21/h7-13,21H,1-6H3
InChIKeyNNAKPCNFMLEKHI-UHFFFAOYSA-N
XLogP5.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-ditert-butylphenyl)phenol?
The IUPAC name of 2-(2,3-ditert-butylphenyl)phenol (CID 19881409) is 2-(2,3-ditert-butylphenyl)phenol.
What is the SMILES notation for 2-(2,3-ditert-butylphenyl)phenol?
The canonical SMILES for 2-(2,3-ditert-butylphenyl)phenol is CC(C)(C)c1cccc(-c2ccccc2O)c1C(C)(C)C.
What is the InChIKey of 2-(2,3-ditert-butylphenyl)phenol?
The InChIKey is NNAKPCNFMLEKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O/c1-19(2,3)16-12-9-11-15(18(16)20(4,5)6)14-10-7-8-13-17(14)21/h7-13,21H,1-6H3.
What are the key properties of 2-(2,3-ditert-butylphenyl)phenol?
2-(2,3-ditert-butylphenyl)phenol has a molecular weight of 282.43 g/mol, XLogP of 5.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-ditert-butylphenyl)phenol is sourced from PubChem (CID 19881409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).