1-(2,5-dimethoxyphenyl)-2-ethoxybutan-1-one

C14H20O4 — CID 116707667

IUPAC1-(2,5-dimethoxyphenyl)-2-ethoxybutan-1-one
SMILESCCOC(CC)C(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C14H20O4/c1-5-12(18-6-2)14(15)11-9-10(16-3)7-8-13(11)17-4/h7-9,12H,5-6H2,1-4H3
InChIKeyRRGQRYUFYLXWPT-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.70
Rot. Bonds7

About 1-(2,5-dimethoxyphenyl)-2-ethoxybutan-1-one

1-(2,5-dimethoxyphenyl)-2-ethoxybutan-1-one (PubChem CID 116707667) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-ethoxybutan-1-one.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-ethoxybutan-1-one
PubChem CID116707667
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name1-(2,5-dimethoxyphenyl)-2-ethoxybutan-1-one
SMILESCCOC(CC)C(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C14H20O4/c1-5-12(18-6-2)14(15)11-9-10(16-3)7-8-13(11)17-4/h7-9,12H,5-6H2,1-4H3
InChIKeyRRGQRYUFYLXWPT-UHFFFAOYSA-N
XLogP2.70
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-1-(5-fluoro-2-methoxyphenyl)butan-1-one
CID 116707692
2-(4-aminophenoxy)-1-(2,5-dimethoxyphenyl)butan-1-one
CID 46307671
2-chloro-1-(2,5-dimethoxyphenyl)butan-1-one
CID 82254816
2-(2-aminophenoxy)-1-(2,5-dimethoxyphenyl)butan-1-one
CID 46307371
1-(2,5-dimethoxyphenyl)-3,3-diethoxypropan-1-one
CID 115480661
2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanone
CID 82626892
1-(2,5-dimethoxyphenyl)-2,2-dimethoxyethanone
CID 79492414
1-(3,5-dimethoxyphenyl)-2-ethoxybutan-1-one
CID 116707577
(2S)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-ethoxybutanamide
CID 94666737
butan-2-yl 2,5-dimethoxybenzenecarboperoxoate
CID 173265640
methyl 3-(2,5-dimethoxyphenyl)-2-methyl-3-oxopropanoate
CID 112508924
2-(2,5-dimethoxybenzoyl)pentanenitrile
CID 79405162

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-ethoxybutan-1-one?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-ethoxybutan-1-one (CID 116707667) is 1-(2,5-dimethoxyphenyl)-2-ethoxybutan-1-one.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-ethoxybutan-1-one?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-ethoxybutan-1-one is CCOC(CC)C(=O)c1cc(OC)ccc1OC.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-ethoxybutan-1-one?
The InChIKey is RRGQRYUFYLXWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-5-12(18-6-2)14(15)11-9-10(16-3)7-8-13(11)17-4/h7-9,12H,5-6H2,1-4H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-ethoxybutan-1-one?
1-(2,5-dimethoxyphenyl)-2-ethoxybutan-1-one has a molecular weight of 252.31 g/mol, XLogP of 2.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-ethoxybutan-1-one is sourced from PubChem (CID 116707667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).