1,1-diethoxy-3-(2-methoxy-5-methylphenyl)propan-2-one

C15H22O4 — CID 79495074

IUPAC1,1-diethoxy-3-(2-methoxy-5-methylphenyl)propan-2-one
SMILESCCOC(OCC)C(=O)Cc1cc(C)ccc1OC
InChIInChI=1S/C15H22O4/c1-5-18-15(19-6-2)13(16)10-12-9-11(3)7-8-14(12)17-4/h7-9,15H,5-6,10H2,1-4H3
InChIKeyFBSZRHIDNADUKP-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.51
Rot. Bonds8

About 1,1-diethoxy-3-(2-methoxy-5-methylphenyl)propan-2-one

1,1-diethoxy-3-(2-methoxy-5-methylphenyl)propan-2-one (PubChem CID 79495074) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1,1-diethoxy-3-(2-methoxy-5-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1,1-diethoxy-3-(2-methoxy-5-methylphenyl)propan-2-one
PubChem CID79495074
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name1,1-diethoxy-3-(2-methoxy-5-methylphenyl)propan-2-one
SMILESCCOC(OCC)C(=O)Cc1cc(C)ccc1OC
InChIInChI=1S/C15H22O4/c1-5-18-15(19-6-2)13(16)10-12-9-11(3)7-8-14(12)17-4/h7-9,15H,5-6,10H2,1-4H3
InChIKeyFBSZRHIDNADUKP-UHFFFAOYSA-N
XLogP2.51
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-2-one
CID 114965728
3-(2,5-dimethylphenyl)-1,1-diethoxypropan-2-one
CID 79496033
3-amino-1-(2-methoxy-5-methylphenyl)heptan-2-one
CID 116556836
(2R)-2-ethoxy-3-(2-methoxy-5-methylphenyl)propanoic acid
CID 100546885
3-amino-1-(2-methoxy-5-methylphenyl)-4,4-dimethylpentan-2-one
CID 116611554
2-(2-methoxy-5-methylphenyl)-N-methylacetamide
CID 39969431
1-(2,5-dimethylphenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one
CID 114965749
1,1-diethoxy-3-(2-methoxy-5-methylphenyl)propan-2-amine
CID 79495090
2-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]butanoic acid
CID 43388197
1-(2,6-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 79522962
1-(2-methoxy-5-methylphenyl)nonan-2-one
CID 114965759
3-(aminomethyl)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylpentanamide
CID 81087805

Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxy-3-(2-methoxy-5-methylphenyl)propan-2-one?
The IUPAC name of 1,1-diethoxy-3-(2-methoxy-5-methylphenyl)propan-2-one (CID 79495074) is 1,1-diethoxy-3-(2-methoxy-5-methylphenyl)propan-2-one.
What is the SMILES notation for 1,1-diethoxy-3-(2-methoxy-5-methylphenyl)propan-2-one?
The canonical SMILES for 1,1-diethoxy-3-(2-methoxy-5-methylphenyl)propan-2-one is CCOC(OCC)C(=O)Cc1cc(C)ccc1OC.
What is the InChIKey of 1,1-diethoxy-3-(2-methoxy-5-methylphenyl)propan-2-one?
The InChIKey is FBSZRHIDNADUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-5-18-15(19-6-2)13(16)10-12-9-11(3)7-8-14(12)17-4/h7-9,15H,5-6,10H2,1-4H3.
What are the key properties of 1,1-diethoxy-3-(2-methoxy-5-methylphenyl)propan-2-one?
1,1-diethoxy-3-(2-methoxy-5-methylphenyl)propan-2-one has a molecular weight of 266.34 g/mol, XLogP of 2.51, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxy-3-(2-methoxy-5-methylphenyl)propan-2-one is sourced from PubChem (CID 79495074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).