2-hydroxy-2-methyl-1-(2-propan-2-yloxyphenyl)butan-1-one

C14H20O3 — CID 103446686

IUPAC2-hydroxy-2-methyl-1-(2-propan-2-yloxyphenyl)butan-1-one
SMILESCCC(C)(O)C(=O)c1ccccc1OC(C)C
InChIInChI=1S/C14H20O3/c1-5-14(4,16)13(15)11-8-6-7-9-12(11)17-10(2)3/h6-10,16H,5H2,1-4H3
InChIKeyJFPOXFMNSLBOGX-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.82
Rot. Bonds5

About 2-hydroxy-2-methyl-1-(2-propan-2-yloxyphenyl)butan-1-one

2-hydroxy-2-methyl-1-(2-propan-2-yloxyphenyl)butan-1-one (PubChem CID 103446686) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-1-(2-propan-2-yloxyphenyl)butan-1-one.

Molecular Properties

Compound Name2-hydroxy-2-methyl-1-(2-propan-2-yloxyphenyl)butan-1-one
PubChem CID103446686
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-hydroxy-2-methyl-1-(2-propan-2-yloxyphenyl)butan-1-one
SMILESCCC(C)(O)C(=O)c1ccccc1OC(C)C
InChIInChI=1S/C14H20O3/c1-5-14(4,16)13(15)11-8-6-7-9-12(11)17-10(2)3/h6-10,16H,5H2,1-4H3
InChIKeyJFPOXFMNSLBOGX-UHFFFAOYSA-N
XLogP2.82
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-1-(2-propan-2-yloxyphenyl)pentan-1-one
CID 116556941
2,2,2-trichloro-1-(2-propan-2-yloxyphenyl)ethanone
CID 146008297
carbonic acid;bis(2-propan-2-yloxybenzoic acid)
CID 66629297
2-propan-2-yloxybenzoyl chloride
CID 15921914
propyl 2-propan-2-yloxybenzoate
CID 82186328
(E)-1-(2-propan-2-yloxyphenyl)pent-2-en-1-one
CID 103454235
2-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide
CID 17046033
2-amino-3-methoxy-1-(2-propan-2-yloxyphenyl)propan-1-one
CID 116593953
(3-ethyl-6-methylpyridazin-4-yl)-(2-propan-2-yloxyphenyl)methanone
CID 105120129
2-methyl-1-(2-propan-2-yloxyanilino)propan-2-ol
CID 39246107
2-hydroxy-1-[2-[2-(2-hydroxy-2-methylpropanoyl)phenoxy]phenyl]-2-methylpropan-1-one
CID 174547295
N-(1-phenylpropyl)-2-propan-2-yloxybenzamide
CID 43911562

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-1-(2-propan-2-yloxyphenyl)butan-1-one?
The IUPAC name of 2-hydroxy-2-methyl-1-(2-propan-2-yloxyphenyl)butan-1-one (CID 103446686) is 2-hydroxy-2-methyl-1-(2-propan-2-yloxyphenyl)butan-1-one.
What is the SMILES notation for 2-hydroxy-2-methyl-1-(2-propan-2-yloxyphenyl)butan-1-one?
The canonical SMILES for 2-hydroxy-2-methyl-1-(2-propan-2-yloxyphenyl)butan-1-one is CCC(C)(O)C(=O)c1ccccc1OC(C)C.
What is the InChIKey of 2-hydroxy-2-methyl-1-(2-propan-2-yloxyphenyl)butan-1-one?
The InChIKey is JFPOXFMNSLBOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-5-14(4,16)13(15)11-8-6-7-9-12(11)17-10(2)3/h6-10,16H,5H2,1-4H3.
What are the key properties of 2-hydroxy-2-methyl-1-(2-propan-2-yloxyphenyl)butan-1-one?
2-hydroxy-2-methyl-1-(2-propan-2-yloxyphenyl)butan-1-one has a molecular weight of 236.31 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-1-(2-propan-2-yloxyphenyl)butan-1-one is sourced from PubChem (CID 103446686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).