1-(3,4-diethoxyphenyl)-2,2-dimethylpropan-1-one

C15H22O3 — CID 43337638

IUPAC1-(3,4-diethoxyphenyl)-2,2-dimethylpropan-1-one
SMILESCCOc1ccc(C(=O)C(C)(C)C)cc1OCC
InChIInChI=1S/C15H22O3/c1-6-17-12-9-8-11(10-13(12)18-7-2)14(16)15(3,4)5/h8-10H,6-7H2,1-5H3
InChIKeyOEAIRKZQMOPAHW-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.71
Rot. Bonds5

About 1-(3,4-diethoxyphenyl)-2,2-dimethylpropan-1-one

1-(3,4-diethoxyphenyl)-2,2-dimethylpropan-1-one (PubChem CID 43337638) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(3,4-diethoxyphenyl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(3,4-diethoxyphenyl)-2,2-dimethylpropan-1-one
PubChem CID43337638
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name1-(3,4-diethoxyphenyl)-2,2-dimethylpropan-1-one
SMILESCCOc1ccc(C(=O)C(C)(C)C)cc1OCC
InChIInChI=1S/C15H22O3/c1-6-17-12-9-8-11(10-13(12)18-7-2)14(16)15(3,4)5/h8-10H,6-7H2,1-5H3
InChIKeyOEAIRKZQMOPAHW-UHFFFAOYSA-N
XLogP3.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-diethoxyphenyl)-2-methoxy-2-methylpropan-1-one
CID 79202823
1-(3,4-diethoxyphenyl)-2-(dimethylamino)-2-methylpropan-1-one
CID 79046514
1-(3,4-diethoxyphenyl)-2-methyl-2-(methylamino)propan-1-one
CID 116566524
bis(3,4-diethoxyphenyl)methanone
CID 135325793
1-(3,4-diethoxyphenyl)-3,3-dimethylbutan-1-one
CID 43337636
ethyl 3,4-diethoxybenzoate
CID 586407
3,4-diethoxy-N,N-dimethylbenzamide
CID 3370911
1,2-bis(3-ethoxy-4-methoxyphenyl)ethane-1,2-dione
CID 126457801
2-amino-1-(3,4-diethoxyphenyl)ethanone;hydrochloride
CID 131632754
1-(3,4-diethoxyphenyl)prop-2-en-1-one
CID 114982504
3-ethoxy-4-(4-methoxybutoxy)benzoic acid
CID 104647711
3-ethoxy-4-(pyrimidin-2-ylmethoxy)benzoic acid
CID 62700677

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethoxyphenyl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(3,4-diethoxyphenyl)-2,2-dimethylpropan-1-one (CID 43337638) is 1-(3,4-diethoxyphenyl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(3,4-diethoxyphenyl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(3,4-diethoxyphenyl)-2,2-dimethylpropan-1-one is CCOc1ccc(C(=O)C(C)(C)C)cc1OCC.
What is the InChIKey of 1-(3,4-diethoxyphenyl)-2,2-dimethylpropan-1-one?
The InChIKey is OEAIRKZQMOPAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-6-17-12-9-8-11(10-13(12)18-7-2)14(16)15(3,4)5/h8-10H,6-7H2,1-5H3.
What are the key properties of 1-(3,4-diethoxyphenyl)-2,2-dimethylpropan-1-one?
1-(3,4-diethoxyphenyl)-2,2-dimethylpropan-1-one has a molecular weight of 250.34 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethoxyphenyl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 43337638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).