2-(2-butoxyethoxy)-1-(2-methylphenyl)ethanone

C15H22O3 — CID 43800169

IUPAC2-(2-butoxyethoxy)-1-(2-methylphenyl)ethanone
SMILESCCCCOCCOCC(=O)c1ccccc1C
InChIInChI=1S/C15H22O3/c1-3-4-9-17-10-11-18-12-15(16)14-8-6-5-7-13(14)2/h5-8H,3-4,9-12H2,1-2H3
InChIKeyVOKCLLWKCXTMGH-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.01
Rot. Bonds9

About 2-(2-butoxyethoxy)-1-(2-methylphenyl)ethanone

2-(2-butoxyethoxy)-1-(2-methylphenyl)ethanone (PubChem CID 43800169) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(2-butoxyethoxy)-1-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-butoxyethoxy)-1-(2-methylphenyl)ethanone
PubChem CID43800169
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name2-(2-butoxyethoxy)-1-(2-methylphenyl)ethanone
SMILESCCCCOCCOCC(=O)c1ccccc1C
InChIInChI=1S/C15H22O3/c1-3-4-9-17-10-11-18-12-15(16)14-8-6-5-7-13(14)2/h5-8H,3-4,9-12H2,1-2H3
InChIKeyVOKCLLWKCXTMGH-UHFFFAOYSA-N
XLogP3.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.01
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-(2-methylphenyl)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

2-[3-(2-methoxyethoxy)propoxy]-1-(2-methylphenyl)ethanone
CID 103403707
2-(2-butoxyethoxy)-1-phenylethanone
CID 43800199
2-nonoxyethyl 2-methylbenzoate
CID 140608638
2-(2-butoxyethoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 43800187
1-(2-bromophenyl)-2-octoxyethanone
CID 43800732
2-(cyclopropylmethoxy)-1-(2-methylphenyl)ethanone
CID 43799214
1-(2-methylphenyl)-2-phenylmethoxyethanone
CID 62029251
2-(2-butoxyethoxy)-1-(2,6-difluorophenyl)ethanone
CID 43800204
1-(2-chloro-3-methylphenyl)-2-propoxyethanone
CID 115783219
4-butoxy-1-(2-methylphenyl)butan-2-one
CID 55096223
1-(2-methylphenyl)undecan-1-one
CID 63409592
1-(2-methylphenyl)nonan-1-one
CID 63409672

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethoxy)-1-(2-methylphenyl)ethanone?
The IUPAC name of 2-(2-butoxyethoxy)-1-(2-methylphenyl)ethanone (CID 43800169) is 2-(2-butoxyethoxy)-1-(2-methylphenyl)ethanone.
What is the SMILES notation for 2-(2-butoxyethoxy)-1-(2-methylphenyl)ethanone?
The canonical SMILES for 2-(2-butoxyethoxy)-1-(2-methylphenyl)ethanone is CCCCOCCOCC(=O)c1ccccc1C.
What is the InChIKey of 2-(2-butoxyethoxy)-1-(2-methylphenyl)ethanone?
The InChIKey is VOKCLLWKCXTMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-3-4-9-17-10-11-18-12-15(16)14-8-6-5-7-13(14)2/h5-8H,3-4,9-12H2,1-2H3.
What are the key properties of 2-(2-butoxyethoxy)-1-(2-methylphenyl)ethanone?
2-(2-butoxyethoxy)-1-(2-methylphenyl)ethanone has a molecular weight of 250.34 g/mol, XLogP of 3.01, 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-(2-methylphenyl)ethanone is sourced from PubChem (CID 43800169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).