1-(4-tert-butylphenyl)-2-hydroxy-2-methylpentan-1-one

C16H24O2 — CID 175510955

IUPAC1-(4-tert-butylphenyl)-2-hydroxy-2-methylpentan-1-one
SMILESCCCC(C)(O)C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H24O2/c1-6-11-16(5,18)14(17)12-7-9-13(10-8-12)15(2,3)4/h7-10,18H,6,11H2,1-5H3
InChIKeyNJXUQIPREXWCLP-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.72
Rot. Bonds4

About 1-(4-tert-butylphenyl)-2-hydroxy-2-methylpentan-1-one

1-(4-tert-butylphenyl)-2-hydroxy-2-methylpentan-1-one (PubChem CID 175510955) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-hydroxy-2-methylpentan-1-one.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-hydroxy-2-methylpentan-1-one
PubChem CID175510955
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-(4-tert-butylphenyl)-2-hydroxy-2-methylpentan-1-one
SMILESCCCC(C)(O)C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H24O2/c1-6-11-16(5,18)14(17)12-7-9-13(10-8-12)15(2,3)4/h7-10,18H,6,11H2,1-5H3
InChIKeyNJXUQIPREXWCLP-UHFFFAOYSA-N
XLogP3.72
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)-2-methylbutan-1-one
CID 13467807
1-[4-[bis[4-(2-hydroxy-2-methyltetradecanoyl)phenyl]methyl]phenyl]-2-hydroxy-2-methyltetradecan-1-one
CID 141288238
1-(4-tert-butylphenyl)-2-methylpentan-1-one
CID 43160032
3-(4-tert-butylphenyl)-2,2-dimethyl-3-oxopropanoic acid
CID 116918052
(4-tert-butylphenyl)-(4-propylphenyl)methanone
CID 24723303
2-bromo-1-(4-tert-butylphenyl)butan-1-one
CID 63386110
copper 4-tert-butylbenzoic acid
CID 54604773
CID 67550053
CID 67550053
4-tert-butylbenzoic acid;copper
CID 67780260
1-(4-tert-butylphenyl)-2-(propylamino)propan-1-one
CID 82100622
2-hydroxy-1-[4-(2-hydroxypropan-2-yl)phenyl]-2-methylpropan-1-one
CID 68739045
2,5-dihydroxy-2-methyl-1-phenylpentan-1-one
CID 175459425

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-hydroxy-2-methylpentan-1-one?
The IUPAC name of 1-(4-tert-butylphenyl)-2-hydroxy-2-methylpentan-1-one (CID 175510955) is 1-(4-tert-butylphenyl)-2-hydroxy-2-methylpentan-1-one.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-hydroxy-2-methylpentan-1-one?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-hydroxy-2-methylpentan-1-one is CCCC(C)(O)C(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-hydroxy-2-methylpentan-1-one?
The InChIKey is NJXUQIPREXWCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-6-11-16(5,18)14(17)12-7-9-13(10-8-12)15(2,3)4/h7-10,18H,6,11H2,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-hydroxy-2-methylpentan-1-one?
1-(4-tert-butylphenyl)-2-hydroxy-2-methylpentan-1-one has a molecular weight of 248.37 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-hydroxy-2-methylpentan-1-one is sourced from PubChem (CID 175510955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).