2-(2-butoxyethoxy)-1-phenylethanone

C14H20O3 — CID 43800199

IUPAC2-(2-butoxyethoxy)-1-phenylethanone
SMILESCCCCOCCOCC(=O)c1ccccc1
InChIInChI=1S/C14H20O3/c1-2-3-9-16-10-11-17-12-14(15)13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3
InChIKeyWFUCZEIGJSODIU-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.70
Rot. Bonds9

About 2-(2-butoxyethoxy)-1-phenylethanone

2-(2-butoxyethoxy)-1-phenylethanone (PubChem CID 43800199) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(2-butoxyethoxy)-1-phenylethanone.

Molecular Properties

Compound Name2-(2-butoxyethoxy)-1-phenylethanone
PubChem CID43800199
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-(2-butoxyethoxy)-1-phenylethanone
SMILESCCCCOCCOCC(=O)c1ccccc1
InChIInChI=1S/C14H20O3/c1-2-3-9-16-10-11-17-12-14(15)13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3
InChIKeyWFUCZEIGJSODIU-UHFFFAOYSA-N
XLogP2.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2-butoxyethoxy)-1-phenylethanone 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

3-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-ylbenzene
CID 175197492
2-butoxy-1-(4-chlorophenyl)ethanone
CID 43801198
2-(2-butoxyethoxy)-1-(2-methylphenyl)ethanone
CID 43800169
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butane;methyl benzoate
CID 146469280
3-heptoxy-1-phenylpropan-1-one
CID 116692052
2-phenacyloxy-1-phenylethanone
CID 12781821
2-butoxy-1-(4-propan-2-ylphenyl)ethanone
CID 43801215
benzoic acid;1-pentoxypentane
CID 70815519
2-(2-butoxyethoxy)-1-(2,6-difluorophenyl)ethanone
CID 43800204
2-heptoxy-1-(4-methylphenyl)ethanone
CID 43800117
2-(3-butoxyphenoxy)-1-phenylethanone
CID 15692245
3-pentoxyprop-1-en-2-ylbenzene
CID 174460660

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethoxy)-1-phenylethanone?
The IUPAC name of 2-(2-butoxyethoxy)-1-phenylethanone (CID 43800199) is 2-(2-butoxyethoxy)-1-phenylethanone.
What is the SMILES notation for 2-(2-butoxyethoxy)-1-phenylethanone?
The canonical SMILES for 2-(2-butoxyethoxy)-1-phenylethanone is CCCCOCCOCC(=O)c1ccccc1.
What is the InChIKey of 2-(2-butoxyethoxy)-1-phenylethanone?
The InChIKey is WFUCZEIGJSODIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-2-3-9-16-10-11-17-12-14(15)13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3.
What are the key properties of 2-(2-butoxyethoxy)-1-phenylethanone?
2-(2-butoxyethoxy)-1-phenylethanone has a molecular weight of 236.31 g/mol, XLogP of 2.70, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethoxy)-1-phenylethanone is sourced from PubChem (CID 43800199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).