3-chloro-1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)propan-1-one

C14H18Cl2O2 — CID 82265933

IUPAC3-chloro-1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)propan-1-one
SMILESCCOc1c(C(=O)CCCl)cc(Cl)cc1C(C)C
InChIInChI=1S/C14H18Cl2O2/c1-4-18-14-11(9(2)3)7-10(16)8-12(14)13(17)5-6-15/h7-9H,4-6H2,1-3H3
InChIKeyORWYMGJERVLOBI-UHFFFAOYSA-N
MW289.20 g/mol
LogP4.67
Rot. Bonds6

About 3-chloro-1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)propan-1-one

3-chloro-1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)propan-1-one (PubChem CID 82265933) has the molecular formula C14H18Cl2O2 and a molecular weight of 289.20 g/mol. Its IUPAC name is 3-chloro-1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)propan-1-one.

Molecular Properties

Compound Name3-chloro-1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)propan-1-one
PubChem CID82265933
Molecular FormulaC14H18Cl2O2
Molecular Weight289.20 g/mol
Exact Mass288.07
IUPAC Name3-chloro-1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)propan-1-one
SMILESCCOc1c(C(=O)CCCl)cc(Cl)cc1C(C)C
InChIInChI=1S/C14H18Cl2O2/c1-4-18-14-11(9(2)3)7-10(16)8-12(14)13(17)5-6-15/h7-9H,4-6H2,1-3H3
InChIKeyORWYMGJERVLOBI-UHFFFAOYSA-N
XLogP4.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.20
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-1-(3,5-dichloro-2-ethoxyphenyl)propan-1-one
CID 82267037
1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)prop-2-en-1-one
CID 83958793
1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-2,2,2-trifluoroethanone
CID 83958798
ethyl 5-chloro-3-propan-2-yl-2-propoxybenzoate
CID 82552792
1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)propan-1-ol
CID 82265954
5-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)heptan-2-one
CID 83938826
1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)ethanamine
CID 82265941
5-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-4-methylpentan-2-one
CID 83938850
2-chloro-1-(5-chloro-2-hydroxy-3-propan-2-ylphenyl)ethanone
CID 82265856
3-chloro-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propan-1-one
CID 94978468
3-chloro-1-(2-ethoxy-3,6-dimethylphenyl)propan-1-one
CID 82266880
1-(5-chloro-2-ethoxy-3-methylphenyl)ethanone
CID 83885927

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)propan-1-one?
The IUPAC name of 3-chloro-1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)propan-1-one (CID 82265933) is 3-chloro-1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)propan-1-one.
What is the SMILES notation for 3-chloro-1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)propan-1-one?
The canonical SMILES for 3-chloro-1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)propan-1-one is CCOc1c(C(=O)CCCl)cc(Cl)cc1C(C)C.
What is the InChIKey of 3-chloro-1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)propan-1-one?
The InChIKey is ORWYMGJERVLOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2O2/c1-4-18-14-11(9(2)3)7-10(16)8-12(14)13(17)5-6-15/h7-9H,4-6H2,1-3H3.
What are the key properties of 3-chloro-1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)propan-1-one?
3-chloro-1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)propan-1-one has a molecular weight of 289.20 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)propan-1-one is sourced from PubChem (CID 82265933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).