2-cyclopropyl-1-(3,4-dichlorophenyl)-2-methoxyethanone

C12H12Cl2O2 — CID 116708959

IUPAC2-cyclopropyl-1-(3,4-dichlorophenyl)-2-methoxyethanone
SMILESCOC(C(=O)c1ccc(Cl)c(Cl)c1)C1CC1
InChIInChI=1S/C12H12Cl2O2/c1-16-12(7-2-3-7)11(15)8-4-5-9(13)10(14)6-8/h4-7,12H,2-3H2,1H3
InChIKeyXFTFZRUECFCWIX-UHFFFAOYSA-N
MW259.13 g/mol
LogP3.60
Rot. Bonds4

About 2-cyclopropyl-1-(3,4-dichlorophenyl)-2-methoxyethanone

2-cyclopropyl-1-(3,4-dichlorophenyl)-2-methoxyethanone (PubChem CID 116708959) has the molecular formula C12H12Cl2O2 and a molecular weight of 259.13 g/mol. Its IUPAC name is 2-cyclopropyl-1-(3,4-dichlorophenyl)-2-methoxyethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-(3,4-dichlorophenyl)-2-methoxyethanone
PubChem CID116708959
Molecular FormulaC12H12Cl2O2
Molecular Weight259.13 g/mol
Exact Mass258.02
IUPAC Name2-cyclopropyl-1-(3,4-dichlorophenyl)-2-methoxyethanone
SMILESCOC(C(=O)c1ccc(Cl)c(Cl)c1)C1CC1
InChIInChI=1S/C12H12Cl2O2/c1-16-12(7-2-3-7)11(15)8-4-5-9(13)10(14)6-8/h4-7,12H,2-3H2,1H3
InChIKeyXFTFZRUECFCWIX-UHFFFAOYSA-N
XLogP3.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.13
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-2-methoxy-1-(6-methyl-3-pyridinyl)ethanone
CID 116709132
methyl 2-amino-3-(3,4-dichlorophenyl)-3-oxopropanoate
CID 68768648
methyl 2-amino-3-(3,4-dichlorophenyl)-3-oxopropanoate;hydrochloride
CID 68768647
1-(3,4-dichlorophenyl)-2,2-diethoxyethanone
CID 79495539
[3-cyclopropyl-1-(3,4-dichlorophenyl)-1-oxopropan-2-yl] thiocyanate
CID 156849199
cyclopropyl-(3,4-dichlorophenyl)methanone
CID 19806646
1-(3,4-dichlorophenyl)-2-methylbutan-1-one
CID 43344477
(3,4-dichlorophenyl)-(4-methoxyphenyl)methanone
CID 2758123
methyl 3-amino-4-(3,4-dichlorophenyl)-4-oxobutanoate
CID 82349249
(3,4-dichlorophenyl)-(6-methoxynaphthalen-2-yl)methanone
CID 146007325
2-amino-1-(3,4-dichlorophenyl)-3,3-dimethylbutan-1-one
CID 116611550
3-amino-1-(3,4-dichlorophenyl)-2-methylpropan-1-one
CID 116564611

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(3,4-dichlorophenyl)-2-methoxyethanone?
The IUPAC name of 2-cyclopropyl-1-(3,4-dichlorophenyl)-2-methoxyethanone (CID 116708959) is 2-cyclopropyl-1-(3,4-dichlorophenyl)-2-methoxyethanone.
What is the SMILES notation for 2-cyclopropyl-1-(3,4-dichlorophenyl)-2-methoxyethanone?
The canonical SMILES for 2-cyclopropyl-1-(3,4-dichlorophenyl)-2-methoxyethanone is COC(C(=O)c1ccc(Cl)c(Cl)c1)C1CC1.
What is the InChIKey of 2-cyclopropyl-1-(3,4-dichlorophenyl)-2-methoxyethanone?
The InChIKey is XFTFZRUECFCWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2O2/c1-16-12(7-2-3-7)11(15)8-4-5-9(13)10(14)6-8/h4-7,12H,2-3H2,1H3.
What are the key properties of 2-cyclopropyl-1-(3,4-dichlorophenyl)-2-methoxyethanone?
2-cyclopropyl-1-(3,4-dichlorophenyl)-2-methoxyethanone has a molecular weight of 259.13 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(3,4-dichlorophenyl)-2-methoxyethanone is sourced from PubChem (CID 116708959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).