2-(2-benzoyl-3-phenylcyclopropyl)acetyl chloride

C18H15ClO2 — CID 72801553

IUPAC2-(2-benzoyl-3-phenylcyclopropyl)acetyl chloride
SMILESO=C(Cl)CC1C(C(=O)c2ccccc2)C1c1ccccc1
InChIInChI=1S/C18H15ClO2/c19-15(20)11-14-16(12-7-3-1-4-8-12)17(14)18(21)13-9-5-2-6-10-13/h1-10,14,16-17H,11H2
InChIKeyFJWABDMQXHFWRH-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.05
Rot. Bonds5

About 2-(2-benzoyl-3-phenylcyclopropyl)acetyl chloride

2-(2-benzoyl-3-phenylcyclopropyl)acetyl chloride (PubChem CID 72801553) has the molecular formula C18H15ClO2 and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-(2-benzoyl-3-phenylcyclopropyl)acetyl chloride.

Molecular Properties

Compound Name2-(2-benzoyl-3-phenylcyclopropyl)acetyl chloride
PubChem CID72801553
Molecular FormulaC18H15ClO2
Molecular Weight298.77 g/mol
Exact Mass298.08
IUPAC Name2-(2-benzoyl-3-phenylcyclopropyl)acetyl chloride
SMILESO=C(Cl)CC1C(C(=O)c2ccccc2)C1c1ccccc1
InChIInChI=1S/C18H15ClO2/c19-15(20)11-14-16(12-7-3-1-4-8-12)17(14)18(21)13-9-5-2-6-10-13/h1-10,14,16-17H,11H2
InChIKeyFJWABDMQXHFWRH-UHFFFAOYSA-N
XLogP4.05
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-benzoyl-3-phenylcyclopropyl)acetyl chloride?
The IUPAC name of 2-(2-benzoyl-3-phenylcyclopropyl)acetyl chloride (CID 72801553) is 2-(2-benzoyl-3-phenylcyclopropyl)acetyl chloride.
What is the SMILES notation for 2-(2-benzoyl-3-phenylcyclopropyl)acetyl chloride?
The canonical SMILES for 2-(2-benzoyl-3-phenylcyclopropyl)acetyl chloride is O=C(Cl)CC1C(C(=O)c2ccccc2)C1c1ccccc1.
What is the InChIKey of 2-(2-benzoyl-3-phenylcyclopropyl)acetyl chloride?
The InChIKey is FJWABDMQXHFWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClO2/c19-15(20)11-14-16(12-7-3-1-4-8-12)17(14)18(21)13-9-5-2-6-10-13/h1-10,14,16-17H,11H2.
What are the key properties of 2-(2-benzoyl-3-phenylcyclopropyl)acetyl chloride?
2-(2-benzoyl-3-phenylcyclopropyl)acetyl chloride has a molecular weight of 298.77 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzoyl-3-phenylcyclopropyl)acetyl chloride is sourced from PubChem (CID 72801553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).