3-methoxy-1-(2,4,6-triethoxyphenyl)propan-1-one

C16H24O5 — CID 93191508

IUPAC3-methoxy-1-(2,4,6-triethoxyphenyl)propan-1-one
SMILESCCOc1cc(OCC)c(C(=O)CCOC)c(OCC)c1
InChIInChI=1S/C16H24O5/c1-5-19-12-10-14(20-6-2)16(13(17)8-9-18-4)15(11-12)21-7-3/h10-11H,5-9H2,1-4H3
InChIKeyBOJJGWKWMGGHJO-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.10
Rot. Bonds10

About 3-methoxy-1-(2,4,6-triethoxyphenyl)propan-1-one

3-methoxy-1-(2,4,6-triethoxyphenyl)propan-1-one (PubChem CID 93191508) has the molecular formula C16H24O5 and a molecular weight of 296.36 g/mol. Its IUPAC name is 3-methoxy-1-(2,4,6-triethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-methoxy-1-(2,4,6-triethoxyphenyl)propan-1-one
PubChem CID93191508
Molecular FormulaC16H24O5
Molecular Weight296.36 g/mol
Exact Mass296.16
IUPAC Name3-methoxy-1-(2,4,6-triethoxyphenyl)propan-1-one
SMILESCCOc1cc(OCC)c(C(=O)CCOC)c(OCC)c1
InChIInChI=1S/C16H24O5/c1-5-19-12-10-14(20-6-2)16(13(17)8-9-18-4)15(11-12)21-7-3/h10-11H,5-9H2,1-4H3
InChIKeyBOJJGWKWMGGHJO-UHFFFAOYSA-N
XLogP3.10
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-diethoxy-6-hydroxyphenyl)ethanone
CID 819891
1-[4-(4-ethoxyphenyl)phenyl]-3-methoxypropan-1-one
CID 82053444
1-(3-bromo-4-ethoxyphenyl)-3-methoxypropan-1-one
CID 82051325
1-(5-bromo-2-ethoxyphenyl)-3-methoxypropan-1-one
CID 82051145
2-(4-methylpiperazin-1-yl)-1-(2,4,6-triethoxyphenyl)ethanone
CID 170862115
tris(2,4,6-triethoxyphenyl)sulfanium acetate
CID 161016297
1-[2-ethoxy-4,6-di(propan-2-yloxy)phenyl]-2-methylpropan-1-one
CID 146611640
3-amino-1-(2-ethoxy-4-methoxyphenyl)propan-1-one
CID 117319761
1-(2,4-diethoxyphenyl)-2,2,2-trifluoroethanone
CID 83952962
2,4-diethoxybenzoate
CID 6951194
2,4-diethoxybenzamide
CID 17145726
2-(2-ethoxyphenoxy)-1-(2,4,6-trimethoxyphenyl)ethanone
CID 2105953

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(2,4,6-triethoxyphenyl)propan-1-one?
The IUPAC name of 3-methoxy-1-(2,4,6-triethoxyphenyl)propan-1-one (CID 93191508) is 3-methoxy-1-(2,4,6-triethoxyphenyl)propan-1-one.
What is the SMILES notation for 3-methoxy-1-(2,4,6-triethoxyphenyl)propan-1-one?
The canonical SMILES for 3-methoxy-1-(2,4,6-triethoxyphenyl)propan-1-one is CCOc1cc(OCC)c(C(=O)CCOC)c(OCC)c1.
What is the InChIKey of 3-methoxy-1-(2,4,6-triethoxyphenyl)propan-1-one?
The InChIKey is BOJJGWKWMGGHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O5/c1-5-19-12-10-14(20-6-2)16(13(17)8-9-18-4)15(11-12)21-7-3/h10-11H,5-9H2,1-4H3.
What are the key properties of 3-methoxy-1-(2,4,6-triethoxyphenyl)propan-1-one?
3-methoxy-1-(2,4,6-triethoxyphenyl)propan-1-one has a molecular weight of 296.36 g/mol, XLogP of 3.10, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(2,4,6-triethoxyphenyl)propan-1-one is sourced from PubChem (CID 93191508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).