2-ethyl-2-methoxy-1-(2-methoxyphenyl)butan-1-one

C14H20O3 — CID 116747491

IUPAC2-ethyl-2-methoxy-1-(2-methoxyphenyl)butan-1-one
SMILESCCC(CC)(OC)C(=O)c1ccccc1OC
InChIInChI=1S/C14H20O3/c1-5-14(6-2,17-4)13(15)11-9-7-8-10-12(11)16-3/h7-10H,5-6H2,1-4H3
InChIKeyKGKSAMQISIGDEF-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.08
Rot. Bonds6

About 2-ethyl-2-methoxy-1-(2-methoxyphenyl)butan-1-one

2-ethyl-2-methoxy-1-(2-methoxyphenyl)butan-1-one (PubChem CID 116747491) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-ethyl-2-methoxy-1-(2-methoxyphenyl)butan-1-one.

Molecular Properties

Compound Name2-ethyl-2-methoxy-1-(2-methoxyphenyl)butan-1-one
PubChem CID116747491
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-ethyl-2-methoxy-1-(2-methoxyphenyl)butan-1-one
SMILESCCC(CC)(OC)C(=O)c1ccccc1OC
InChIInChI=1S/C14H20O3/c1-5-14(6-2,17-4)13(15)11-9-7-8-10-12(11)16-3/h7-10H,5-6H2,1-4H3
InChIKeyKGKSAMQISIGDEF-UHFFFAOYSA-N
XLogP3.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
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

Analyze 2-ethyl-2-methoxy-1-(2-methoxyphenyl)butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-2-methoxy-1-(2-methylphenyl)butan-1-one
CID 116747572
CID 175241707
CID 175241707
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
ethyl 2,2-difluoro-3-(2-methoxyphenyl)-3-oxopropanoate
CID 55071398
2,2-dibromo-3-(2-methoxyphenyl)-3-oxopropanenitrile
CID 23039923
2-ethyl-1-(4-fluorophenyl)-2-methoxybutan-1-one
CID 116747607
(2R)-2-hydroxy-1-(2-methoxyphenyl)-2-methylhexane-1,5-dione
CID 101235095
CID 135043978
CID 135043978
2-methoxybenzoyl iodide
CID 139677083
2-fluoro-1-(2-methoxyphenyl)ethanone
CID 11816076
2-methoxybenzohydrazide
CID 24051
1-(2-fluoro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-one
CID 116746583

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methoxy-1-(2-methoxyphenyl)butan-1-one?
The IUPAC name of 2-ethyl-2-methoxy-1-(2-methoxyphenyl)butan-1-one (CID 116747491) is 2-ethyl-2-methoxy-1-(2-methoxyphenyl)butan-1-one.
What is the SMILES notation for 2-ethyl-2-methoxy-1-(2-methoxyphenyl)butan-1-one?
The canonical SMILES for 2-ethyl-2-methoxy-1-(2-methoxyphenyl)butan-1-one is CCC(CC)(OC)C(=O)c1ccccc1OC.
What is the InChIKey of 2-ethyl-2-methoxy-1-(2-methoxyphenyl)butan-1-one?
The InChIKey is KGKSAMQISIGDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-5-14(6-2,17-4)13(15)11-9-7-8-10-12(11)16-3/h7-10H,5-6H2,1-4H3.
What are the key properties of 2-ethyl-2-methoxy-1-(2-methoxyphenyl)butan-1-one?
2-ethyl-2-methoxy-1-(2-methoxyphenyl)butan-1-one has a molecular weight of 236.31 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methoxy-1-(2-methoxyphenyl)butan-1-one is sourced from PubChem (CID 116747491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).