1-cyclopropyl-3-(3,5-dichlorophenoxy)propan-1-one

C12H12Cl2O2 — CID 39359938

IUPAC1-cyclopropyl-3-(3,5-dichlorophenoxy)propan-1-one
SMILESO=C(CCOc1cc(Cl)cc(Cl)c1)C1CC1
InChIInChI=1S/C12H12Cl2O2/c13-9-5-10(14)7-11(6-9)16-4-3-12(15)8-1-2-8/h5-8H,1-4H2
InChIKeyNVBCZXPPVXULKA-UHFFFAOYSA-N
MW259.13 g/mol
LogP3.74
Rot. Bonds5

About 1-cyclopropyl-3-(3,5-dichlorophenoxy)propan-1-one

1-cyclopropyl-3-(3,5-dichlorophenoxy)propan-1-one (PubChem CID 39359938) has the molecular formula C12H12Cl2O2 and a molecular weight of 259.13 g/mol. Its IUPAC name is 1-cyclopropyl-3-(3,5-dichlorophenoxy)propan-1-one.

Molecular Properties

Compound Name1-cyclopropyl-3-(3,5-dichlorophenoxy)propan-1-one
PubChem CID39359938
Molecular FormulaC12H12Cl2O2
Molecular Weight259.13 g/mol
Exact Mass258.02
IUPAC Name1-cyclopropyl-3-(3,5-dichlorophenoxy)propan-1-one
SMILESO=C(CCOc1cc(Cl)cc(Cl)c1)C1CC1
InChIInChI=1S/C12H12Cl2O2/c13-9-5-10(14)7-11(6-9)16-4-3-12(15)8-1-2-8/h5-8H,1-4H2
InChIKeyNVBCZXPPVXULKA-UHFFFAOYSA-N
XLogP3.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.13
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-3-(3,5-dimethylphenoxy)propan-1-one
CID 39349318
3-(2-chloro-5-methylphenoxy)-1-cyclopropylpropan-1-one
CID 92931184
1-cycloheptyl-3-phenoxypropan-1-one
CID 82932359
3-(3,5-dichlorophenoxy)propanethioamide
CID 43621954
1-cyclopentyl-3-(2,6-dichlorophenoxy)propan-1-one
CID 39387933
1,3-dichloro-5-[5-(3,5-dichlorophenoxy)pentoxy]benzene
CID 59168458
1-cyclopropyl-6-phenoxyhexan-1-one
CID 64505245
3-(3,5-dichlorophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)propanamide
CID 75494351
2-[2-(3,5-dichlorophenoxy)ethyl-methylamino]propanoic acid
CID 119912857
3-(4-tert-butylphenoxy)-1-cyclohexylpropan-1-one
CID 39390816
(2S)-1-[2-(3,5-dichlorophenoxy)ethyl]-N-methylpiperidine-2-carboxamide
CID 97062239
2-[3-chloro-5-(2-hydroxyethoxy)phenoxy]ethanol
CID 54038432

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(3,5-dichlorophenoxy)propan-1-one?
The IUPAC name of 1-cyclopropyl-3-(3,5-dichlorophenoxy)propan-1-one (CID 39359938) is 1-cyclopropyl-3-(3,5-dichlorophenoxy)propan-1-one.
What is the SMILES notation for 1-cyclopropyl-3-(3,5-dichlorophenoxy)propan-1-one?
The canonical SMILES for 1-cyclopropyl-3-(3,5-dichlorophenoxy)propan-1-one is O=C(CCOc1cc(Cl)cc(Cl)c1)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(3,5-dichlorophenoxy)propan-1-one?
The InChIKey is NVBCZXPPVXULKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2O2/c13-9-5-10(14)7-11(6-9)16-4-3-12(15)8-1-2-8/h5-8H,1-4H2.
What are the key properties of 1-cyclopropyl-3-(3,5-dichlorophenoxy)propan-1-one?
1-cyclopropyl-3-(3,5-dichlorophenoxy)propan-1-one has a molecular weight of 259.13 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(3,5-dichlorophenoxy)propan-1-one is sourced from PubChem (CID 39359938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).