(4-tert-butyl-2-naphthalen-2-yl-6-propan-2-ylphenyl)methanol

C24H28O — CID 57395755

IUPAC(4-tert-butyl-2-naphthalen-2-yl-6-propan-2-ylphenyl)methanol
SMILESCC(C)c1cc(C(C)(C)C)cc(-c2ccc3ccccc3c2)c1CO
InChIInChI=1S/C24H28O/c1-16(2)21-13-20(24(3,4)5)14-22(23(21)15-25)19-11-10-17-8-6-7-9-18(17)12-19/h6-14,16,25H,15H2,1-5H3
InChIKeyNCTONOXJZGFRGY-UHFFFAOYSA-N
MW332.49 g/mol
LogP6.42
Rot. Bonds3

About (4-tert-butyl-2-naphthalen-2-yl-6-propan-2-ylphenyl)methanol

(4-tert-butyl-2-naphthalen-2-yl-6-propan-2-ylphenyl)methanol (PubChem CID 57395755) has the molecular formula C24H28O and a molecular weight of 332.49 g/mol. Its IUPAC name is (4-tert-butyl-2-naphthalen-2-yl-6-propan-2-ylphenyl)methanol.

Molecular Properties

Compound Name(4-tert-butyl-2-naphthalen-2-yl-6-propan-2-ylphenyl)methanol
PubChem CID57395755
Molecular FormulaC24H28O
Molecular Weight332.49 g/mol
Exact Mass332.21
IUPAC Name(4-tert-butyl-2-naphthalen-2-yl-6-propan-2-ylphenyl)methanol
SMILESCC(C)c1cc(C(C)(C)C)cc(-c2ccc3ccccc3c2)c1CO
InChIInChI=1S/C24H28O/c1-16(2)21-13-20(24(3,4)5)14-22(23(21)15-25)19-11-10-17-8-6-7-9-18(17)12-19/h6-14,16,25H,15H2,1-5H3
InChIKeyNCTONOXJZGFRGY-UHFFFAOYSA-N
XLogP6.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.49
LogP ≤ 56.42
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-yl-6-propan-2-ylphenyl)methanol?
The IUPAC name of (4-tert-butyl-2-naphthalen-2-yl-6-propan-2-ylphenyl)methanol (CID 57395755) is (4-tert-butyl-2-naphthalen-2-yl-6-propan-2-ylphenyl)methanol.
What is the SMILES notation for (4-tert-butyl-2-naphthalen-2-yl-6-propan-2-ylphenyl)methanol?
The canonical SMILES for (4-tert-butyl-2-naphthalen-2-yl-6-propan-2-ylphenyl)methanol is CC(C)c1cc(C(C)(C)C)cc(-c2ccc3ccccc3c2)c1CO.
What is the InChIKey of (4-tert-butyl-2-naphthalen-2-yl-6-propan-2-ylphenyl)methanol?
The InChIKey is NCTONOXJZGFRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O/c1-16(2)21-13-20(24(3,4)5)14-22(23(21)15-25)19-11-10-17-8-6-7-9-18(17)12-19/h6-14,16,25H,15H2,1-5H3.
What are the key properties of (4-tert-butyl-2-naphthalen-2-yl-6-propan-2-ylphenyl)methanol?
(4-tert-butyl-2-naphthalen-2-yl-6-propan-2-ylphenyl)methanol has a molecular weight of 332.49 g/mol, XLogP of 6.42, 3 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-yl-6-propan-2-ylphenyl)methanol is sourced from PubChem (CID 57395755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).