1-(2,4-diethoxy-5-hydroxyphenyl)-3-hydroxypropan-1-one

C13H18O5 — CID 71370054

IUPAC1-(2,4-diethoxy-5-hydroxyphenyl)-3-hydroxypropan-1-one
SMILESCCOc1cc(OCC)c(C(=O)CCO)cc1O
InChIInChI=1S/C13H18O5/c1-3-17-12-8-13(18-4-2)11(16)7-9(12)10(15)5-6-14/h7-8,14,16H,3-6H2,1-2H3
InChIKeyZLKGHRRFNTXSKI-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.75
Rot. Bonds7

About 1-(2,4-diethoxy-5-hydroxyphenyl)-3-hydroxypropan-1-one

1-(2,4-diethoxy-5-hydroxyphenyl)-3-hydroxypropan-1-one (PubChem CID 71370054) has the molecular formula C13H18O5 and a molecular weight of 254.28 g/mol. Its IUPAC name is 1-(2,4-diethoxy-5-hydroxyphenyl)-3-hydroxypropan-1-one.

Molecular Properties

Compound Name1-(2,4-diethoxy-5-hydroxyphenyl)-3-hydroxypropan-1-one
PubChem CID71370054
Molecular FormulaC13H18O5
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name1-(2,4-diethoxy-5-hydroxyphenyl)-3-hydroxypropan-1-one
SMILESCCOc1cc(OCC)c(C(=O)CCO)cc1O
InChIInChI=1S/C13H18O5/c1-3-17-12-8-13(18-4-2)11(16)7-9(12)10(15)5-6-14/h7-8,14,16H,3-6H2,1-2H3
InChIKeyZLKGHRRFNTXSKI-UHFFFAOYSA-N
XLogP1.75
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

formic acid;1-(2,4,5-triethoxyphenyl)butan-1-one
CID 166142099
4-(2-ethoxy-4,5-dimethoxyphenyl)-4-oxobutanoic acid
CID 21430095
1-(2-ethoxy-4,5-dimethylphenyl)propan-1-one
CID 82053867
1-(4-ethoxy-3-fluorophenyl)-3-hydroxypropan-1-one
CID 95441414
2-ethoxy-4,5-dimethylphenol
CID 82053903
1-(5-chloro-2,4-diethoxyphenyl)prop-2-en-1-one
CID 83959343
1-(2-ethoxy-5-methylphenyl)nonan-1-one
CID 65447426
2-ethoxy-4,5-difluorophenol
CID 131306358
1,8-bis(5-ethoxy-2-hydroxyphenyl)octane-1,8-dione
CID 3348725
2-chloro-1-(4,5-dichloro-2-ethoxyphenyl)ethanone
CID 82553894
4-chloro-1-(2,5-dichloro-4-ethoxyphenyl)butan-1-one
CID 105400923
ethyl 5-chloro-2,4-diethoxybenzoate
CID 82551541

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-diethoxy-5-hydroxyphenyl)-3-hydroxypropan-1-one?
The IUPAC name of 1-(2,4-diethoxy-5-hydroxyphenyl)-3-hydroxypropan-1-one (CID 71370054) is 1-(2,4-diethoxy-5-hydroxyphenyl)-3-hydroxypropan-1-one.
What is the SMILES notation for 1-(2,4-diethoxy-5-hydroxyphenyl)-3-hydroxypropan-1-one?
The canonical SMILES for 1-(2,4-diethoxy-5-hydroxyphenyl)-3-hydroxypropan-1-one is CCOc1cc(OCC)c(C(=O)CCO)cc1O.
What is the InChIKey of 1-(2,4-diethoxy-5-hydroxyphenyl)-3-hydroxypropan-1-one?
The InChIKey is ZLKGHRRFNTXSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O5/c1-3-17-12-8-13(18-4-2)11(16)7-9(12)10(15)5-6-14/h7-8,14,16H,3-6H2,1-2H3.
What are the key properties of 1-(2,4-diethoxy-5-hydroxyphenyl)-3-hydroxypropan-1-one?
1-(2,4-diethoxy-5-hydroxyphenyl)-3-hydroxypropan-1-one has a molecular weight of 254.28 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-diethoxy-5-hydroxyphenyl)-3-hydroxypropan-1-one is sourced from PubChem (CID 71370054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).