4-tert-butyl-2-naphthalen-2-ylphenol

C20H20O — CID 118868504

IUPAC4-tert-butyl-2-naphthalen-2-ylphenol
SMILESCC(C)(C)c1ccc(O)c(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C20H20O/c1-20(2,3)17-10-11-19(21)18(13-17)16-9-8-14-6-4-5-7-15(14)12-16/h4-13,21H,1-3H3
InChIKeyQJHFBPBHNZOBNN-UHFFFAOYSA-N
MW276.38 g/mol
LogP5.51
Rot. Bonds1

About 4-tert-butyl-2-naphthalen-2-ylphenol

4-tert-butyl-2-naphthalen-2-ylphenol (PubChem CID 118868504) has the molecular formula C20H20O and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-tert-butyl-2-naphthalen-2-ylphenol.

Molecular Properties

Compound Name4-tert-butyl-2-naphthalen-2-ylphenol
PubChem CID118868504
Molecular FormulaC20H20O
Molecular Weight276.38 g/mol
Exact Mass276.15
IUPAC Name4-tert-butyl-2-naphthalen-2-ylphenol
SMILESCC(C)(C)c1ccc(O)c(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C20H20O/c1-20(2,3)17-10-11-19(21)18(13-17)16-9-8-14-6-4-5-7-15(14)12-16/h4-13,21H,1-3H3
InChIKeyQJHFBPBHNZOBNN-UHFFFAOYSA-N
XLogP5.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.38
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-naphthalen-2-ylphenol?
The IUPAC name of 4-tert-butyl-2-naphthalen-2-ylphenol (CID 118868504) is 4-tert-butyl-2-naphthalen-2-ylphenol.
What is the SMILES notation for 4-tert-butyl-2-naphthalen-2-ylphenol?
The canonical SMILES for 4-tert-butyl-2-naphthalen-2-ylphenol is CC(C)(C)c1ccc(O)c(-c2ccc3ccccc3c2)c1.
What is the InChIKey of 4-tert-butyl-2-naphthalen-2-ylphenol?
The InChIKey is QJHFBPBHNZOBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O/c1-20(2,3)17-10-11-19(21)18(13-17)16-9-8-14-6-4-5-7-15(14)12-16/h4-13,21H,1-3H3.
What are the key properties of 4-tert-butyl-2-naphthalen-2-ylphenol?
4-tert-butyl-2-naphthalen-2-ylphenol has a molecular weight of 276.38 g/mol, XLogP of 5.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-naphthalen-2-ylphenol is sourced from PubChem (CID 118868504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).