1-(3,4-diethoxyphenyl)-2-methoxy-2-methylpropan-1-one

C15H22O4 — CID 79202823

IUPAC1-(3,4-diethoxyphenyl)-2-methoxy-2-methylpropan-1-one
SMILESCCOc1ccc(C(=O)C(C)(C)OC)cc1OCC
InChIInChI=1S/C15H22O4/c1-6-18-12-9-8-11(10-13(12)19-7-2)14(16)15(3,4)17-5/h8-10H,6-7H2,1-5H3
InChIKeyCDXDSPFZJCDQOD-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.09
Rot. Bonds7

About 1-(3,4-diethoxyphenyl)-2-methoxy-2-methylpropan-1-one

1-(3,4-diethoxyphenyl)-2-methoxy-2-methylpropan-1-one (PubChem CID 79202823) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(3,4-diethoxyphenyl)-2-methoxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(3,4-diethoxyphenyl)-2-methoxy-2-methylpropan-1-one
PubChem CID79202823
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name1-(3,4-diethoxyphenyl)-2-methoxy-2-methylpropan-1-one
SMILESCCOc1ccc(C(=O)C(C)(C)OC)cc1OCC
InChIInChI=1S/C15H22O4/c1-6-18-12-9-8-11(10-13(12)19-7-2)14(16)15(3,4)17-5/h8-10H,6-7H2,1-5H3
InChIKeyCDXDSPFZJCDQOD-UHFFFAOYSA-N
XLogP3.09
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-diethoxyphenyl)-2,2-dimethylpropan-1-one
CID 43337638
1-(3,4-diethoxyphenyl)-2-methyl-2-(methylamino)propan-1-one
CID 116566524
1-(3,4-diethoxyphenyl)-2-(dimethylamino)-2-methylpropan-1-one
CID 79046514
bis(3,4-diethoxyphenyl)methanone
CID 135325793
1-(3,4-diethoxyphenyl)-3,3-dimethylbutan-1-one
CID 43337636
1,2-bis(3-ethoxy-4-methoxyphenyl)ethane-1,2-dione
CID 126457801
3-ethoxy-4-(4-methoxybutoxy)benzoic acid
CID 104647711
ethyl 3,4-diethoxybenzoate
CID 586407
1-(3,4-dichlorophenyl)-2-methoxy-2-methylpropan-1-one
CID 79198318
3,4-diethoxy-N,N-dimethylbenzamide
CID 3370911
2-amino-1-(3,4-diethoxyphenyl)ethanone;hydrochloride
CID 131632754
3-ethoxy-4-methoxybenzoate
CID 7020473

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethoxyphenyl)-2-methoxy-2-methylpropan-1-one?
The IUPAC name of 1-(3,4-diethoxyphenyl)-2-methoxy-2-methylpropan-1-one (CID 79202823) is 1-(3,4-diethoxyphenyl)-2-methoxy-2-methylpropan-1-one.
What is the SMILES notation for 1-(3,4-diethoxyphenyl)-2-methoxy-2-methylpropan-1-one?
The canonical SMILES for 1-(3,4-diethoxyphenyl)-2-methoxy-2-methylpropan-1-one is CCOc1ccc(C(=O)C(C)(C)OC)cc1OCC.
What is the InChIKey of 1-(3,4-diethoxyphenyl)-2-methoxy-2-methylpropan-1-one?
The InChIKey is CDXDSPFZJCDQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-6-18-12-9-8-11(10-13(12)19-7-2)14(16)15(3,4)17-5/h8-10H,6-7H2,1-5H3.
What are the key properties of 1-(3,4-diethoxyphenyl)-2-methoxy-2-methylpropan-1-one?
1-(3,4-diethoxyphenyl)-2-methoxy-2-methylpropan-1-one has a molecular weight of 266.34 g/mol, XLogP of 3.09, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethoxyphenyl)-2-methoxy-2-methylpropan-1-one is sourced from PubChem (CID 79202823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).