2-[1-(2,4-dichlorobenzoyl)cyclopropyl]acetaldehyde

C12H10Cl2O2 — CID 158620100

IUPAC2-[1-(2,4-dichlorobenzoyl)cyclopropyl]acetaldehyde
SMILESO=CCC1(C(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C12H10Cl2O2/c13-8-1-2-9(10(14)7-8)11(16)12(3-4-12)5-6-15/h1-2,6-7H,3-5H2
InChIKeyFLLSRLYUEBTRDD-UHFFFAOYSA-N
MW257.12 g/mol
LogP3.55
Rot. Bonds4

About 2-[1-(2,4-dichlorobenzoyl)cyclopropyl]acetaldehyde

2-[1-(2,4-dichlorobenzoyl)cyclopropyl]acetaldehyde (PubChem CID 158620100) has the molecular formula C12H10Cl2O2 and a molecular weight of 257.12 g/mol. Its IUPAC name is 2-[1-(2,4-dichlorobenzoyl)cyclopropyl]acetaldehyde.

Molecular Properties

Compound Name2-[1-(2,4-dichlorobenzoyl)cyclopropyl]acetaldehyde
PubChem CID158620100
Molecular FormulaC12H10Cl2O2
Molecular Weight257.12 g/mol
Exact Mass256.01
IUPAC Name2-[1-(2,4-dichlorobenzoyl)cyclopropyl]acetaldehyde
SMILESO=CCC1(C(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C12H10Cl2O2/c13-8-1-2-9(10(14)7-8)11(16)12(3-4-12)5-6-15/h1-2,6-7H,3-5H2
InChIKeyFLLSRLYUEBTRDD-UHFFFAOYSA-N
XLogP3.55
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,4-dichlorophenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone
CID 116922633
3-(2,4-dichlorophenyl)-3-oxopropanal
CID 10889333
[1-(aminomethyl)cyclopropyl]-(2-chloro-4-methoxyphenyl)methanone
CID 116921260
2,4-dichloro-N-[1-(hydroxymethyl)cyclobutyl]benzamide
CID 115878522
1-(2,4-dichlorophenyl)(214C)ethanone
CID 10750217
1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]ethanone
CID 82293557
[1-(aminomethyl)cyclopropyl]-(5-chloro-2-methoxyphenyl)methanone
CID 116601328
2-[1-[2-(2,4-dichlorophenyl)-2-oxoethyl]cyclohexyl]acetic acid
CID 63496419
sodium (2,4-dichlorobenzoyl)azanide
CID 143659946
(2,4-dichlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43344575
(E)-3-chloro-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enal
CID 87444708
2,4-dichloro-N-[1-(4-fluorophenyl)cyclobutyl]benzamide
CID 110443081

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dichlorobenzoyl)cyclopropyl]acetaldehyde?
The IUPAC name of 2-[1-(2,4-dichlorobenzoyl)cyclopropyl]acetaldehyde (CID 158620100) is 2-[1-(2,4-dichlorobenzoyl)cyclopropyl]acetaldehyde.
What is the SMILES notation for 2-[1-(2,4-dichlorobenzoyl)cyclopropyl]acetaldehyde?
The canonical SMILES for 2-[1-(2,4-dichlorobenzoyl)cyclopropyl]acetaldehyde is O=CCC1(C(=O)c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 2-[1-(2,4-dichlorobenzoyl)cyclopropyl]acetaldehyde?
The InChIKey is FLLSRLYUEBTRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2O2/c13-8-1-2-9(10(14)7-8)11(16)12(3-4-12)5-6-15/h1-2,6-7H,3-5H2.
What are the key properties of 2-[1-(2,4-dichlorobenzoyl)cyclopropyl]acetaldehyde?
2-[1-(2,4-dichlorobenzoyl)cyclopropyl]acetaldehyde has a molecular weight of 257.12 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dichlorobenzoyl)cyclopropyl]acetaldehyde is sourced from PubChem (CID 158620100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).