2-(2-butoxyethoxy)-1-(4-chlorophenyl)propan-1-one

C15H21ClO3 — CID 43800190

IUPAC2-(2-butoxyethoxy)-1-(4-chlorophenyl)propan-1-one
SMILESCCCCOCCOC(C)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClO3/c1-3-4-9-18-10-11-19-12(2)15(17)13-5-7-14(16)8-6-13/h5-8,12H,3-4,9-11H2,1-2H3
InChIKeyCZFDBLLTFMNMMB-UHFFFAOYSA-N
MW284.78 g/mol
LogP3.74
Rot. Bonds9

About 2-(2-butoxyethoxy)-1-(4-chlorophenyl)propan-1-one

2-(2-butoxyethoxy)-1-(4-chlorophenyl)propan-1-one (PubChem CID 43800190) has the molecular formula C15H21ClO3 and a molecular weight of 284.78 g/mol. Its IUPAC name is 2-(2-butoxyethoxy)-1-(4-chlorophenyl)propan-1-one.

Molecular Properties

Compound Name2-(2-butoxyethoxy)-1-(4-chlorophenyl)propan-1-one
PubChem CID43800190
Molecular FormulaC15H21ClO3
Molecular Weight284.78 g/mol
Exact Mass284.12
IUPAC Name2-(2-butoxyethoxy)-1-(4-chlorophenyl)propan-1-one
SMILESCCCCOCCOC(C)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClO3/c1-3-4-9-18-10-11-19-12(2)15(17)13-5-7-14(16)8-6-13/h5-8,12H,3-4,9-11H2,1-2H3
InChIKeyCZFDBLLTFMNMMB-UHFFFAOYSA-N
XLogP3.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.78
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-2-(2-methylpentoxy)propan-1-one
CID 103284424
2-heptoxy-1-(4-methoxyphenyl)propan-1-one
CID 43800113
2-butoxy-1-(4-chlorophenyl)ethanone
CID 43801198
methyl (2R)-2-(2-butoxyethoxy)propanoate
CID 103337806
1-(3,4-difluorophenyl)-2-hexoxypropan-1-one
CID 43800697
3-(2-butoxyethoxy)butan-2-one
CID 43800225
N-(4-amino-2-chlorophenyl)-2-(2-butoxyethoxy)propanamide
CID 43127117
1-phenyl-2-propoxypropan-1-one
CID 43801137
2-(4-acetylphenoxy)-1-(4-chlorophenyl)propan-1-one
CID 60625305
1-(4-chlorophenyl)-2-[methyl(pentyl)amino]propan-1-one
CID 43796020
N-(2-aminophenyl)-2-(2-butoxyethoxy)propanamide
CID 43127114
1-(4-chlorophenyl)-2-(3-ethoxypropylamino)propan-1-one
CID 82100415

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethoxy)-1-(4-chlorophenyl)propan-1-one?
The IUPAC name of 2-(2-butoxyethoxy)-1-(4-chlorophenyl)propan-1-one (CID 43800190) is 2-(2-butoxyethoxy)-1-(4-chlorophenyl)propan-1-one.
What is the SMILES notation for 2-(2-butoxyethoxy)-1-(4-chlorophenyl)propan-1-one?
The canonical SMILES for 2-(2-butoxyethoxy)-1-(4-chlorophenyl)propan-1-one is CCCCOCCOC(C)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(2-butoxyethoxy)-1-(4-chlorophenyl)propan-1-one?
The InChIKey is CZFDBLLTFMNMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO3/c1-3-4-9-18-10-11-19-12(2)15(17)13-5-7-14(16)8-6-13/h5-8,12H,3-4,9-11H2,1-2H3.
What are the key properties of 2-(2-butoxyethoxy)-1-(4-chlorophenyl)propan-1-one?
2-(2-butoxyethoxy)-1-(4-chlorophenyl)propan-1-one has a molecular weight of 284.78 g/mol, XLogP of 3.74, 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-(4-chlorophenyl)propan-1-one is sourced from PubChem (CID 43800190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).