2-tert-butyl-6-methyl-4-(naphthalen-1-ylmethyl)phenol

C22H24O — CID 20503924

IUPAC2-tert-butyl-6-methyl-4-(naphthalen-1-ylmethyl)phenol
SMILESCc1cc(Cc2cccc3ccccc23)cc(C(C)(C)C)c1O
InChIInChI=1S/C22H24O/c1-15-12-16(14-20(21(15)23)22(2,3)4)13-18-10-7-9-17-8-5-6-11-19(17)18/h5-12,14,23H,13H2,1-4H3
InChIKeyNIULSZUYHAGPJQ-UHFFFAOYSA-N
MW304.43 g/mol
LogP5.74
Rot. Bonds2

About 2-tert-butyl-6-methyl-4-(naphthalen-1-ylmethyl)phenol

2-tert-butyl-6-methyl-4-(naphthalen-1-ylmethyl)phenol (PubChem CID 20503924) has the molecular formula C22H24O and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-tert-butyl-6-methyl-4-(naphthalen-1-ylmethyl)phenol.

Molecular Properties

Compound Name2-tert-butyl-6-methyl-4-(naphthalen-1-ylmethyl)phenol
PubChem CID20503924
Molecular FormulaC22H24O
Molecular Weight304.43 g/mol
Exact Mass304.18
IUPAC Name2-tert-butyl-6-methyl-4-(naphthalen-1-ylmethyl)phenol
SMILESCc1cc(Cc2cccc3ccccc23)cc(C(C)(C)C)c1O
InChIInChI=1S/C22H24O/c1-15-12-16(14-20(21(15)23)22(2,3)4)13-18-10-7-9-17-8-5-6-11-19(17)18/h5-12,14,23H,13H2,1-4H3
InChIKeyNIULSZUYHAGPJQ-UHFFFAOYSA-N
XLogP5.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.43
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-methyl-4-(naphthalen-1-ylmethyl)phenol?
The IUPAC name of 2-tert-butyl-6-methyl-4-(naphthalen-1-ylmethyl)phenol (CID 20503924) is 2-tert-butyl-6-methyl-4-(naphthalen-1-ylmethyl)phenol.
What is the SMILES notation for 2-tert-butyl-6-methyl-4-(naphthalen-1-ylmethyl)phenol?
The canonical SMILES for 2-tert-butyl-6-methyl-4-(naphthalen-1-ylmethyl)phenol is Cc1cc(Cc2cccc3ccccc23)cc(C(C)(C)C)c1O.
What is the InChIKey of 2-tert-butyl-6-methyl-4-(naphthalen-1-ylmethyl)phenol?
The InChIKey is NIULSZUYHAGPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O/c1-15-12-16(14-20(21(15)23)22(2,3)4)13-18-10-7-9-17-8-5-6-11-19(17)18/h5-12,14,23H,13H2,1-4H3.
What are the key properties of 2-tert-butyl-6-methyl-4-(naphthalen-1-ylmethyl)phenol?
2-tert-butyl-6-methyl-4-(naphthalen-1-ylmethyl)phenol has a molecular weight of 304.43 g/mol, XLogP of 5.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-methyl-4-(naphthalen-1-ylmethyl)phenol is sourced from PubChem (CID 20503924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).