3-chloro-1-(3,5-dichloro-2-ethoxyphenyl)propan-1-one

C11H11Cl3O2 — CID 82267037

IUPAC3-chloro-1-(3,5-dichloro-2-ethoxyphenyl)propan-1-one
SMILESCCOc1c(Cl)cc(Cl)cc1C(=O)CCCl
InChIInChI=1S/C11H11Cl3O2/c1-2-16-11-8(10(15)3-4-12)5-7(13)6-9(11)14/h5-6H,2-4H2,1H3
InChIKeyHELHYQJRMFZUAF-UHFFFAOYSA-N
MW281.57 g/mol
LogP4.20
Rot. Bonds5

About 3-chloro-1-(3,5-dichloro-2-ethoxyphenyl)propan-1-one

3-chloro-1-(3,5-dichloro-2-ethoxyphenyl)propan-1-one (PubChem CID 82267037) has the molecular formula C11H11Cl3O2 and a molecular weight of 281.57 g/mol. Its IUPAC name is 3-chloro-1-(3,5-dichloro-2-ethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-chloro-1-(3,5-dichloro-2-ethoxyphenyl)propan-1-one
PubChem CID82267037
Molecular FormulaC11H11Cl3O2
Molecular Weight281.57 g/mol
Exact Mass279.98
IUPAC Name3-chloro-1-(3,5-dichloro-2-ethoxyphenyl)propan-1-one
SMILESCCOc1c(Cl)cc(Cl)cc1C(=O)CCCl
InChIInChI=1S/C11H11Cl3O2/c1-2-16-11-8(10(15)3-4-12)5-7(13)6-9(11)14/h5-6H,2-4H2,1H3
InChIKeyHELHYQJRMFZUAF-UHFFFAOYSA-N
XLogP4.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.57
LogP ≤ 54.20
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-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)propan-1-one
CID 82265933
3-amino-1-(3,5-dichloro-2-methoxyphenyl)propan-1-one
CID 82296158
1-(3,5-dichloro-2-propoxyphenyl)ethanone
CID 82267096
4-(3,5-dichloro-2-methoxyphenyl)-4-oxobutanal
CID 14431138
1-(5-chloro-2-ethoxy-3-methylphenyl)ethanone
CID 83885927
4-chloro-1-(2,5-dichloro-4-ethoxyphenyl)butan-1-one
CID 105400923
ethyl 3-bromo-5-chloro-2-ethoxybenzoate
CID 50880228
4-chloro-1-(2-chloro-4-ethoxyphenyl)butan-1-one
CID 82267613
1,5-dichloro-3-(4-chlorobutan-2-yl)-2-ethoxybenzene
CID 83941177
3-chloro-1-(2-ethoxy-3,6-dimethylphenyl)propan-1-one
CID 82266880
3,5-dichloro-2-(2-methoxyethoxy)benzoic acid
CID 43516035
6-(3,5-dichloro-2-ethoxyphenyl)octan-3-one
CID 83941200

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(3,5-dichloro-2-ethoxyphenyl)propan-1-one?
The IUPAC name of 3-chloro-1-(3,5-dichloro-2-ethoxyphenyl)propan-1-one (CID 82267037) is 3-chloro-1-(3,5-dichloro-2-ethoxyphenyl)propan-1-one.
What is the SMILES notation for 3-chloro-1-(3,5-dichloro-2-ethoxyphenyl)propan-1-one?
The canonical SMILES for 3-chloro-1-(3,5-dichloro-2-ethoxyphenyl)propan-1-one is CCOc1c(Cl)cc(Cl)cc1C(=O)CCCl.
What is the InChIKey of 3-chloro-1-(3,5-dichloro-2-ethoxyphenyl)propan-1-one?
The InChIKey is HELHYQJRMFZUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl3O2/c1-2-16-11-8(10(15)3-4-12)5-7(13)6-9(11)14/h5-6H,2-4H2,1H3.
What are the key properties of 3-chloro-1-(3,5-dichloro-2-ethoxyphenyl)propan-1-one?
3-chloro-1-(3,5-dichloro-2-ethoxyphenyl)propan-1-one has a molecular weight of 281.57 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(3,5-dichloro-2-ethoxyphenyl)propan-1-one is sourced from PubChem (CID 82267037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).