2,2-dimethyl-1-(2-propoxyphenyl)butan-1-one

C15H22O2 — CID 115800819

IUPAC2,2-dimethyl-1-(2-propoxyphenyl)butan-1-one
SMILESCCCOc1ccccc1C(=O)C(C)(C)CC
InChIInChI=1S/C15H22O2/c1-5-11-17-13-10-8-7-9-12(13)14(16)15(3,4)6-2/h7-10H,5-6,11H2,1-4H3
InChIKeyISTNJHULFSLULL-UHFFFAOYSA-N
MW234.34 g/mol
LogP4.09
Rot. Bonds6

About 2,2-dimethyl-1-(2-propoxyphenyl)butan-1-one

2,2-dimethyl-1-(2-propoxyphenyl)butan-1-one (PubChem CID 115800819) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2,2-dimethyl-1-(2-propoxyphenyl)butan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(2-propoxyphenyl)butan-1-one
PubChem CID115800819
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2,2-dimethyl-1-(2-propoxyphenyl)butan-1-one
SMILESCCCOc1ccccc1C(=O)C(C)(C)CC
InChIInChI=1S/C15H22O2/c1-5-11-17-13-10-8-7-9-12(13)14(16)15(3,4)6-2/h7-10H,5-6,11H2,1-4H3
InChIKeyISTNJHULFSLULL-UHFFFAOYSA-N
XLogP4.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(dimethylamino)-2-methyl-1-(2-propoxyphenyl)butan-1-one
CID 113438216
2-(diethylamino)-2-methyl-1-(2-propoxyphenyl)butan-1-one
CID 104659341
2-amino-3,3,3-trifluoro-2-methyl-1-(2-propoxyphenyl)propan-1-one
CID 116592907
2,2-dimethylpropanoyl 2-propoxybenzoate
CID 174763855
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
phenyl-(2-propoxyphenyl)methanone
CID 15556308
carbonic acid;propyl 2-propoxybenzoate
CID 69345278
2-hydroxy-1-(2-propoxyphenyl)butan-1-one
CID 103452946
2-methoxy-3-methyl-1-(2-propoxyphenyl)butan-1-one
CID 116708411
2,2,2-trifluoro-1-(2-hexoxyphenyl)ethanone
CID 83952477
2-propoxy-N-propylbenzamide
CID 58831728
1-(2-fluorophenyl)-2,2-dimethylbutan-1-one
CID 24724047

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(2-propoxyphenyl)butan-1-one?
The IUPAC name of 2,2-dimethyl-1-(2-propoxyphenyl)butan-1-one (CID 115800819) is 2,2-dimethyl-1-(2-propoxyphenyl)butan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(2-propoxyphenyl)butan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(2-propoxyphenyl)butan-1-one is CCCOc1ccccc1C(=O)C(C)(C)CC.
What is the InChIKey of 2,2-dimethyl-1-(2-propoxyphenyl)butan-1-one?
The InChIKey is ISTNJHULFSLULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-5-11-17-13-10-8-7-9-12(13)14(16)15(3,4)6-2/h7-10H,5-6,11H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-(2-propoxyphenyl)butan-1-one?
2,2-dimethyl-1-(2-propoxyphenyl)butan-1-one has a molecular weight of 234.34 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(2-propoxyphenyl)butan-1-one is sourced from PubChem (CID 115800819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).