1-[2-[2-(2-butoxyethoxy)ethoxy]phenyl]ethanone

C16H24O4 — CID 43793701

IUPAC1-[2-[2-(2-butoxyethoxy)ethoxy]phenyl]ethanone
SMILESCCCCOCCOCCOc1ccccc1C(C)=O
InChIInChI=1S/C16H24O4/c1-3-4-9-18-10-11-19-12-13-20-16-8-6-5-7-15(16)14(2)17/h5-8H,3-4,9-13H2,1-2H3
InChIKeyJCTSBUCPTIGEFX-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.10
Rot. Bonds11

About 1-[2-[2-(2-butoxyethoxy)ethoxy]phenyl]ethanone

1-[2-[2-(2-butoxyethoxy)ethoxy]phenyl]ethanone (PubChem CID 43793701) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is 1-[2-[2-(2-butoxyethoxy)ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[2-(2-butoxyethoxy)ethoxy]phenyl]ethanone
PubChem CID43793701
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name1-[2-[2-(2-butoxyethoxy)ethoxy]phenyl]ethanone
SMILESCCCCOCCOCCOc1ccccc1C(C)=O
InChIInChI=1S/C16H24O4/c1-3-4-9-18-10-11-19-12-13-20-16-8-6-5-7-15(16)14(2)17/h5-8H,3-4,9-13H2,1-2H3
InChIKeyJCTSBUCPTIGEFX-UHFFFAOYSA-N
XLogP3.10
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-[2-(2-butoxyethoxy)ethoxy]phenyl]ethanone 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

1-[2-(2-hexoxyethoxy)phenyl]ethanone
CID 43793758
1-[2-(2-butoxyethoxy)-5-fluorophenyl]ethanone
CID 29003149
1-[2-(2-pent-4-enoxyethoxy)phenyl]ethanone
CID 79112812
1,2-bis[2-(2-butoxyethoxy)ethoxy]benzene
CID 12693817
1,2-bis[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]benzene
CID 118036044
2-(2-butoxyethoxy)benzenecarbothioamide
CID 29001981
1-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]phenyl]ethanone
CID 115942350
2-(3-pentoxypropoxy)benzoic acid
CID 63074508
1-[2-[3-(4-ethoxyphenoxy)propoxy]phenyl]ethanone
CID 2284019
2-butoxybenzoic acid;carbonic acid
CID 137455653
1-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanone
CID 167050498
zinc bis(2-butoxybenzoate)
CID 67242742

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-butoxyethoxy)ethoxy]phenyl]ethanone?
The IUPAC name of 1-[2-[2-(2-butoxyethoxy)ethoxy]phenyl]ethanone (CID 43793701) is 1-[2-[2-(2-butoxyethoxy)ethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-[2-(2-butoxyethoxy)ethoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-[2-(2-butoxyethoxy)ethoxy]phenyl]ethanone is CCCCOCCOCCOc1ccccc1C(C)=O.
What is the InChIKey of 1-[2-[2-(2-butoxyethoxy)ethoxy]phenyl]ethanone?
The InChIKey is JCTSBUCPTIGEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4/c1-3-4-9-18-10-11-19-12-13-20-16-8-6-5-7-15(16)14(2)17/h5-8H,3-4,9-13H2,1-2H3.
What are the key properties of 1-[2-[2-(2-butoxyethoxy)ethoxy]phenyl]ethanone?
1-[2-[2-(2-butoxyethoxy)ethoxy]phenyl]ethanone has a molecular weight of 280.36 g/mol, XLogP of 3.10, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-butoxyethoxy)ethoxy]phenyl]ethanone is sourced from PubChem (CID 43793701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).