5-(2-methylpentan-2-yl)-2-(5-methyl-2-propan-2-ylphenyl)phenol

C22H30O — CID 10566956

IUPAC5-(2-methylpentan-2-yl)-2-(5-methyl-2-propan-2-ylphenyl)phenol
SMILESCCCC(C)(C)c1ccc(-c2cc(C)ccc2C(C)C)c(O)c1
InChIInChI=1S/C22H30O/c1-7-12-22(5,6)17-9-11-19(21(23)14-17)20-13-16(4)8-10-18(20)15(2)3/h8-11,13-15,23H,7,12H2,1-6H3
InChIKeyDZTLWQKJNBRKAL-UHFFFAOYSA-N
MW310.48 g/mol
LogP6.57
Rot. Bonds5

About 5-(2-methylpentan-2-yl)-2-(5-methyl-2-propan-2-ylphenyl)phenol

5-(2-methylpentan-2-yl)-2-(5-methyl-2-propan-2-ylphenyl)phenol (PubChem CID 10566956) has the molecular formula C22H30O and a molecular weight of 310.48 g/mol. Its IUPAC name is 5-(2-methylpentan-2-yl)-2-(5-methyl-2-propan-2-ylphenyl)phenol.

Molecular Properties

Compound Name5-(2-methylpentan-2-yl)-2-(5-methyl-2-propan-2-ylphenyl)phenol
PubChem CID10566956
Molecular FormulaC22H30O
Molecular Weight310.48 g/mol
Exact Mass310.23
IUPAC Name5-(2-methylpentan-2-yl)-2-(5-methyl-2-propan-2-ylphenyl)phenol
SMILESCCCC(C)(C)c1ccc(-c2cc(C)ccc2C(C)C)c(O)c1
InChIInChI=1S/C22H30O/c1-7-12-22(5,6)17-9-11-19(21(23)14-17)20-13-16(4)8-10-18(20)15(2)3/h8-11,13-15,23H,7,12H2,1-6H3
InChIKeyDZTLWQKJNBRKAL-UHFFFAOYSA-N
XLogP6.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.48
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpentan-2-yl)-2-(5-methyl-2-propan-2-ylphenyl)phenol?
The IUPAC name of 5-(2-methylpentan-2-yl)-2-(5-methyl-2-propan-2-ylphenyl)phenol (CID 10566956) is 5-(2-methylpentan-2-yl)-2-(5-methyl-2-propan-2-ylphenyl)phenol.
What is the SMILES notation for 5-(2-methylpentan-2-yl)-2-(5-methyl-2-propan-2-ylphenyl)phenol?
The canonical SMILES for 5-(2-methylpentan-2-yl)-2-(5-methyl-2-propan-2-ylphenyl)phenol is CCCC(C)(C)c1ccc(-c2cc(C)ccc2C(C)C)c(O)c1.
What is the InChIKey of 5-(2-methylpentan-2-yl)-2-(5-methyl-2-propan-2-ylphenyl)phenol?
The InChIKey is DZTLWQKJNBRKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O/c1-7-12-22(5,6)17-9-11-19(21(23)14-17)20-13-16(4)8-10-18(20)15(2)3/h8-11,13-15,23H,7,12H2,1-6H3.
What are the key properties of 5-(2-methylpentan-2-yl)-2-(5-methyl-2-propan-2-ylphenyl)phenol?
5-(2-methylpentan-2-yl)-2-(5-methyl-2-propan-2-ylphenyl)phenol has a molecular weight of 310.48 g/mol, XLogP of 6.57, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpentan-2-yl)-2-(5-methyl-2-propan-2-ylphenyl)phenol is sourced from PubChem (CID 10566956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).