1-(3,5-dichloro-2-propoxyphenyl)ethanone

C11H12Cl2O2 — CID 82267096

IUPAC1-(3,5-dichloro-2-propoxyphenyl)ethanone
SMILESCCCOc1c(Cl)cc(Cl)cc1C(C)=O
InChIInChI=1S/C11H12Cl2O2/c1-3-4-15-11-9(7(2)14)5-8(12)6-10(11)13/h5-6H,3-4H2,1-2H3
InChIKeyDXCILKIIRUSHAA-UHFFFAOYSA-N
MW247.12 g/mol
LogP3.98
Rot. Bonds4

About 1-(3,5-dichloro-2-propoxyphenyl)ethanone

1-(3,5-dichloro-2-propoxyphenyl)ethanone (PubChem CID 82267096) has the molecular formula C11H12Cl2O2 and a molecular weight of 247.12 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-propoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3,5-dichloro-2-propoxyphenyl)ethanone
PubChem CID82267096
Molecular FormulaC11H12Cl2O2
Molecular Weight247.12 g/mol
Exact Mass246.02
IUPAC Name1-(3,5-dichloro-2-propoxyphenyl)ethanone
SMILESCCCOc1c(Cl)cc(Cl)cc1C(C)=O
InChIInChI=1S/C11H12Cl2O2/c1-3-4-15-11-9(7(2)14)5-8(12)6-10(11)13/h5-6H,3-4H2,1-2H3
InChIKeyDXCILKIIRUSHAA-UHFFFAOYSA-N
XLogP3.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dichloro-2-propoxyphenol
CID 82267104
3,5-dichloro-2-(2-methoxyethoxy)benzoic acid
CID 43516035
3-(3,5-dichloro-2-propoxyphenyl)propanoic acid
CID 82267091
1-(5-chloro-2-ethoxy-3-methylphenyl)ethanone
CID 83885927
1,5-dichloro-3-ethoxy-2-propoxybenzene
CID 125116590
3,5-dichloro-2-(3-fluoropropoxy)benzoic acid
CID 81106842
propyl 2,3,5-trichlorobenzoate
CID 22448170
3-chloro-1-(3,5-dichloro-2-ethoxyphenyl)propan-1-one
CID 82267037
1,3,5-trichloro-2-octadecoxybenzene
CID 20520413
1,3,5-trichloro-2-tetradecoxybenzene
CID 6429977
3,5-dichloro-2-(3,3,3-trifluoropropoxy)benzoic acid
CID 64552928
5-chloro-2-propoxybenzoyl chloride
CID 12863236

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-propoxyphenyl)ethanone?
The IUPAC name of 1-(3,5-dichloro-2-propoxyphenyl)ethanone (CID 82267096) is 1-(3,5-dichloro-2-propoxyphenyl)ethanone.
What is the SMILES notation for 1-(3,5-dichloro-2-propoxyphenyl)ethanone?
The canonical SMILES for 1-(3,5-dichloro-2-propoxyphenyl)ethanone is CCCOc1c(Cl)cc(Cl)cc1C(C)=O.
What is the InChIKey of 1-(3,5-dichloro-2-propoxyphenyl)ethanone?
The InChIKey is DXCILKIIRUSHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O2/c1-3-4-15-11-9(7(2)14)5-8(12)6-10(11)13/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-(3,5-dichloro-2-propoxyphenyl)ethanone?
1-(3,5-dichloro-2-propoxyphenyl)ethanone has a molecular weight of 247.12 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-propoxyphenyl)ethanone is sourced from PubChem (CID 82267096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).