2-butoxy-1-(4-chlorophenyl)ethanone

C12H15ClO2 — CID 43801198

IUPAC2-butoxy-1-(4-chlorophenyl)ethanone
SMILESCCCCOCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClO2/c1-2-3-8-15-9-12(14)10-4-6-11(13)7-5-10/h4-7H,2-3,8-9H2,1H3
InChIKeyFTRIXXXCVSRCGI-UHFFFAOYSA-N
MW226.70 g/mol
LogP3.34
Rot. Bonds6

About 2-butoxy-1-(4-chlorophenyl)ethanone

2-butoxy-1-(4-chlorophenyl)ethanone (PubChem CID 43801198) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is 2-butoxy-1-(4-chlorophenyl)ethanone.

Molecular Properties

Compound Name2-butoxy-1-(4-chlorophenyl)ethanone
PubChem CID43801198
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name2-butoxy-1-(4-chlorophenyl)ethanone
SMILESCCCCOCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClO2/c1-2-3-8-15-9-12(14)10-4-6-11(13)7-5-10/h4-7H,2-3,8-9H2,1H3
InChIKeyFTRIXXXCVSRCGI-UHFFFAOYSA-N
XLogP3.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.70
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-butoxy-1-(4-propan-2-ylphenyl)ethanone
CID 43801215
2-(2-butoxyethoxy)-1-phenylethanone
CID 43800199
2-heptoxy-1-(4-methylphenyl)ethanone
CID 43800117
1-(4-ethylphenyl)-2-heptoxyethanone
CID 43800138
1-(4-chlorophenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanone
CID 106448325
2-[2-(4-chlorophenyl)-2-oxoethoxy]acetic acid
CID 61328747
1-(4-chlorophenyl)-2-(2-phenylethoxy)ethanone
CID 43800825
1-(2,5-dichlorophenyl)-2-heptoxyethanone
CID 43800122
4-(2-hexoxyacetyl)benzonitrile
CID 43800645
4-(2-propoxyacetyl)benzoic acid
CID 57076032
1-(4-chlorophenyl)octadecan-1-one
CID 3660100
1-(4-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethanone
CID 65126049

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-1-(4-chlorophenyl)ethanone?
The IUPAC name of 2-butoxy-1-(4-chlorophenyl)ethanone (CID 43801198) is 2-butoxy-1-(4-chlorophenyl)ethanone.
What is the SMILES notation for 2-butoxy-1-(4-chlorophenyl)ethanone?
The canonical SMILES for 2-butoxy-1-(4-chlorophenyl)ethanone is CCCCOCC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-butoxy-1-(4-chlorophenyl)ethanone?
The InChIKey is FTRIXXXCVSRCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO2/c1-2-3-8-15-9-12(14)10-4-6-11(13)7-5-10/h4-7H,2-3,8-9H2,1H3.
What are the key properties of 2-butoxy-1-(4-chlorophenyl)ethanone?
2-butoxy-1-(4-chlorophenyl)ethanone has a molecular weight of 226.70 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-1-(4-chlorophenyl)ethanone is sourced from PubChem (CID 43801198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).