1-(3,5-dimethoxyphenyl)-2-ethoxybutan-1-one

C14H20O4 — CID 116707577

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

About 1-(3,5-dimethoxyphenyl)-2-ethoxybutan-1-one

1-(3,5-dimethoxyphenyl)-2-ethoxybutan-1-one (PubChem CID 116707577) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-2-ethoxybutan-1-one.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-2-ethoxybutan-1-one
PubChem CID116707577
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name1-(3,5-dimethoxyphenyl)-2-ethoxybutan-1-one
SMILESCCOC(CC)C(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C14H20O4/c1-5-13(18-6-2)14(15)10-7-11(16-3)9-12(8-10)17-4/h7-9,13H,5-6H2,1-4H3
InChIKeyMNEMWUUTPARPPW-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

1-(2,5-dimethoxyphenyl)-2-ethoxybutan-1-one
CID 116707667
2-ethoxy-1-(3-ethoxyphenyl)butan-1-one
CID 116707614
3-methoxy-5-pentan-3-yloxybenzoic acid
CID 21061969
1-(3,5-dimethoxyphenyl)-1-ethoxybutan-2-one
CID 83226663
1-(3-chloro-4-methylphenyl)-2-ethoxybutan-1-one
CID 107559945
2-ethoxy-1-(5-fluoro-2-methoxyphenyl)butan-1-one
CID 116707692
1-(3,5-dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenoxy)propan-1-one
CID 102579597
1-(3,5-dimethoxyphenyl)-1-ethoxypentan-2-one
CID 83225136
2,2-diethoxy-1-(4-methoxyphenyl)ethanone
CID 10130946
butan-2-yl 3,5-dimethoxybenzenecarboperoxoate
CID 173266268
diethyl 2-methylpropanedioate;1,3,5-trimethoxybenzene
CID 174557224
1-(3,5-dimethoxyphenyl)propan-1-ol
CID 42957590

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-2-ethoxybutan-1-one?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-2-ethoxybutan-1-one (CID 116707577) is 1-(3,5-dimethoxyphenyl)-2-ethoxybutan-1-one.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-2-ethoxybutan-1-one?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-2-ethoxybutan-1-one is CCOC(CC)C(=O)c1cc(OC)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-2-ethoxybutan-1-one?
The InChIKey is MNEMWUUTPARPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-5-13(18-6-2)14(15)10-7-11(16-3)9-12(8-10)17-4/h7-9,13H,5-6H2,1-4H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-2-ethoxybutan-1-one?
1-(3,5-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-(3,5-dimethoxyphenyl)-2-ethoxybutan-1-one is sourced from PubChem (CID 116707577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).