1-(4-tert-butyl-2,6-dimethylphenyl)pentan-2-ol

C17H28O — CID 60797367

IUPAC1-(4-tert-butyl-2,6-dimethylphenyl)pentan-2-ol
SMILESCCCC(O)Cc1c(C)cc(C(C)(C)C)cc1C
InChIInChI=1S/C17H28O/c1-7-8-15(18)11-16-12(2)9-14(10-13(16)3)17(4,5)6/h9-10,15,18H,7-8,11H2,1-6H3
InChIKeyQIWUOSQWZFSISA-UHFFFAOYSA-N
MW248.41 g/mol
LogP4.30
Rot. Bonds4

About 1-(4-tert-butyl-2,6-dimethylphenyl)pentan-2-ol

1-(4-tert-butyl-2,6-dimethylphenyl)pentan-2-ol (PubChem CID 60797367) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-(4-tert-butyl-2,6-dimethylphenyl)pentan-2-ol.

Molecular Properties

Compound Name1-(4-tert-butyl-2,6-dimethylphenyl)pentan-2-ol
PubChem CID60797367
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Name1-(4-tert-butyl-2,6-dimethylphenyl)pentan-2-ol
SMILESCCCC(O)Cc1c(C)cc(C(C)(C)C)cc1C
InChIInChI=1S/C17H28O/c1-7-8-15(18)11-16-12(2)9-14(10-13(16)3)17(4,5)6/h9-10,15,18H,7-8,11H2,1-6H3
InChIKeyQIWUOSQWZFSISA-UHFFFAOYSA-N
XLogP4.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-2,6-dimethylphenyl)pentan-2-ol?
The IUPAC name of 1-(4-tert-butyl-2,6-dimethylphenyl)pentan-2-ol (CID 60797367) is 1-(4-tert-butyl-2,6-dimethylphenyl)pentan-2-ol.
What is the SMILES notation for 1-(4-tert-butyl-2,6-dimethylphenyl)pentan-2-ol?
The canonical SMILES for 1-(4-tert-butyl-2,6-dimethylphenyl)pentan-2-ol is CCCC(O)Cc1c(C)cc(C(C)(C)C)cc1C.
What is the InChIKey of 1-(4-tert-butyl-2,6-dimethylphenyl)pentan-2-ol?
The InChIKey is QIWUOSQWZFSISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O/c1-7-8-15(18)11-16-12(2)9-14(10-13(16)3)17(4,5)6/h9-10,15,18H,7-8,11H2,1-6H3.
What are the key properties of 1-(4-tert-butyl-2,6-dimethylphenyl)pentan-2-ol?
1-(4-tert-butyl-2,6-dimethylphenyl)pentan-2-ol has a molecular weight of 248.41 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-2,6-dimethylphenyl)pentan-2-ol is sourced from PubChem (CID 60797367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).