2-ethoxy-1-(3-ethoxyphenyl)butan-1-one

C14H20O3 — CID 116707614

IUPAC2-ethoxy-1-(3-ethoxyphenyl)butan-1-one
SMILESCCOc1cccc(C(=O)C(CC)OCC)c1
InChIInChI=1S/C14H20O3/c1-4-13(17-6-3)14(15)11-8-7-9-12(10-11)16-5-2/h7-10,13H,4-6H2,1-3H3
InChIKeyPYKOHAQQTSSYJB-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.08
Rot. Bonds7

About 2-ethoxy-1-(3-ethoxyphenyl)butan-1-one

2-ethoxy-1-(3-ethoxyphenyl)butan-1-one (PubChem CID 116707614) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-ethoxy-1-(3-ethoxyphenyl)butan-1-one.

Molecular Properties

Compound Name2-ethoxy-1-(3-ethoxyphenyl)butan-1-one
PubChem CID116707614
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-ethoxy-1-(3-ethoxyphenyl)butan-1-one
SMILESCCOc1cccc(C(=O)C(CC)OCC)c1
InChIInChI=1S/C14H20O3/c1-4-13(17-6-3)14(15)11-8-7-9-12(10-11)16-5-2/h7-10,13H,4-6H2,1-3H3
InChIKeyPYKOHAQQTSSYJB-UHFFFAOYSA-N
XLogP3.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(3-ethoxyphenyl)-2-methoxyethanone
CID 123571041
2-amino-1-(3-ethoxyphenyl)pentan-1-one
CID 116554755
1-(3,5-dimethoxyphenyl)-2-ethoxybutan-1-one
CID 116707577
methyl 3-ethoxybenzoate
CID 3267781
1-(3-cyclopropyloxyphenyl)-2-ethoxypentan-1-one
CID 114521268
2-(3-ethoxyphenyl)-2-oxoacetaldehyde
CID 19004915
2-(4-ethoxyphenoxy)-1-phenylbutan-1-one
CID 43799769
2-ethoxy-1-(3-methoxyphenyl)-3,3-dimethylbutan-1-one
CID 116709839
3-ethoxy-N-[(2S,3R)-3-methylpentan-2-yl]benzamide
CID 91023998
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]ethyl]benzamide
CID 4958095
2-methyl-1-(3-propoxyphenyl)butan-1-one
CID 115788060
2-ethoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-one
CID 116709920

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(3-ethoxyphenyl)butan-1-one?
The IUPAC name of 2-ethoxy-1-(3-ethoxyphenyl)butan-1-one (CID 116707614) is 2-ethoxy-1-(3-ethoxyphenyl)butan-1-one.
What is the SMILES notation for 2-ethoxy-1-(3-ethoxyphenyl)butan-1-one?
The canonical SMILES for 2-ethoxy-1-(3-ethoxyphenyl)butan-1-one is CCOc1cccc(C(=O)C(CC)OCC)c1.
What is the InChIKey of 2-ethoxy-1-(3-ethoxyphenyl)butan-1-one?
The InChIKey is PYKOHAQQTSSYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-4-13(17-6-3)14(15)11-8-7-9-12(10-11)16-5-2/h7-10,13H,4-6H2,1-3H3.
What are the key properties of 2-ethoxy-1-(3-ethoxyphenyl)butan-1-one?
2-ethoxy-1-(3-ethoxyphenyl)butan-1-one has a molecular weight of 236.31 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(3-ethoxyphenyl)butan-1-one is sourced from PubChem (CID 116707614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).