3-ethoxy-4-(4-hydroxy-3,5-dimethoxyphenyl)butan-2-one

C14H20O5 — CID 140767261

IUPAC3-ethoxy-4-(4-hydroxy-3,5-dimethoxyphenyl)butan-2-one
SMILESCCOC(Cc1cc(OC)c(O)c(OC)c1)C(C)=O
InChIInChI=1S/C14H20O5/c1-5-19-11(9(2)15)6-10-7-12(17-3)14(16)13(8-10)18-4/h7-8,11,16H,5-6H2,1-4H3
InChIKeyRBAJKUDBWPTHKN-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.95
Rot. Bonds7

About 3-ethoxy-4-(4-hydroxy-3,5-dimethoxyphenyl)butan-2-one

3-ethoxy-4-(4-hydroxy-3,5-dimethoxyphenyl)butan-2-one (PubChem CID 140767261) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is 3-ethoxy-4-(4-hydroxy-3,5-dimethoxyphenyl)butan-2-one.

Molecular Properties

Compound Name3-ethoxy-4-(4-hydroxy-3,5-dimethoxyphenyl)butan-2-one
PubChem CID140767261
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Name3-ethoxy-4-(4-hydroxy-3,5-dimethoxyphenyl)butan-2-one
SMILESCCOC(Cc1cc(OC)c(O)c(OC)c1)C(C)=O
InChIInChI=1S/C14H20O5/c1-5-19-11(9(2)15)6-10-7-12(17-3)14(16)13(8-10)18-4/h7-8,11,16H,5-6H2,1-4H3
InChIKeyRBAJKUDBWPTHKN-UHFFFAOYSA-N
XLogP1.95
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-amino-3-(3-bromo-4-hydroxy-5-methoxyphenyl)propanoate
CID 55152164
3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(methylamino)propanoic acid
CID 45359257
ethyl 3-(3,5-difluoro-4-hydroxyphenyl)-2-ethoxypropanoate
CID 59419836
3-hydroxy-2-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]propanal
CID 171390673
diethyl (2R,3R)-2,3-bis[(3-tert-butyl-4-hydroxy-5-methoxyphenyl)methyl]butanedioate
CID 11584884
3-(3,5-dimethylphenyl)-2-ethoxypropanoic acid
CID 133237900
propan-2-yl (2S)-3-(3,5-dibromo-4-hydroxyphenyl)-2-ethoxypropanoate
CID 11025971
3-(4-acetyloxy-3,5-dimethoxyphenyl)-2-aminopropanoic acid
CID 170879558
1-(5-ethyl-2-hydroxy-3-methoxyphenyl)propan-2-one
CID 84676009
4-(chloromethyl)-2,6-dimethoxyphenol
CID 86126298
3-[3-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]-2-ethoxypropanoic acid
CID 139894799
(2R,3R)-2,3-bis[(3-tert-butyl-4-hydroxy-5-methoxyphenyl)methyl]butanedioic acid
CID 11851419

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-(4-hydroxy-3,5-dimethoxyphenyl)butan-2-one?
The IUPAC name of 3-ethoxy-4-(4-hydroxy-3,5-dimethoxyphenyl)butan-2-one (CID 140767261) is 3-ethoxy-4-(4-hydroxy-3,5-dimethoxyphenyl)butan-2-one.
What is the SMILES notation for 3-ethoxy-4-(4-hydroxy-3,5-dimethoxyphenyl)butan-2-one?
The canonical SMILES for 3-ethoxy-4-(4-hydroxy-3,5-dimethoxyphenyl)butan-2-one is CCOC(Cc1cc(OC)c(O)c(OC)c1)C(C)=O.
What is the InChIKey of 3-ethoxy-4-(4-hydroxy-3,5-dimethoxyphenyl)butan-2-one?
The InChIKey is RBAJKUDBWPTHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O5/c1-5-19-11(9(2)15)6-10-7-12(17-3)14(16)13(8-10)18-4/h7-8,11,16H,5-6H2,1-4H3.
What are the key properties of 3-ethoxy-4-(4-hydroxy-3,5-dimethoxyphenyl)butan-2-one?
3-ethoxy-4-(4-hydroxy-3,5-dimethoxyphenyl)butan-2-one has a molecular weight of 268.31 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-(4-hydroxy-3,5-dimethoxyphenyl)butan-2-one is sourced from PubChem (CID 140767261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).