[2-(2-formylbenzoyl)phenyl] cyclopropanecarboxylate

C18H14O4 — CID 123439268

IUPAC[2-(2-formylbenzoyl)phenyl] cyclopropanecarboxylate
SMILESO=Cc1ccccc1C(=O)c1ccccc1OC(=O)C1CC1
InChIInChI=1S/C18H14O4/c19-11-13-5-1-2-6-14(13)17(20)15-7-3-4-8-16(15)22-18(21)12-9-10-12/h1-8,11-12H,9-10H2
InChIKeyKCVYJQWBBPGRLN-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.05
Rot. Bonds5

About [2-(2-formylbenzoyl)phenyl] cyclopropanecarboxylate

[2-(2-formylbenzoyl)phenyl] cyclopropanecarboxylate (PubChem CID 123439268) has the molecular formula C18H14O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is [2-(2-formylbenzoyl)phenyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[2-(2-formylbenzoyl)phenyl] cyclopropanecarboxylate
PubChem CID123439268
Molecular FormulaC18H14O4
Molecular Weight294.31 g/mol
Exact Mass294.09
IUPAC Name[2-(2-formylbenzoyl)phenyl] cyclopropanecarboxylate
SMILESO=Cc1ccccc1C(=O)c1ccccc1OC(=O)C1CC1
InChIInChI=1S/C18H14O4/c19-11-13-5-1-2-6-14(13)17(20)15-7-3-4-8-16(15)22-18(21)12-9-10-12/h1-8,11-12H,9-10H2
InChIKeyKCVYJQWBBPGRLN-UHFFFAOYSA-N
XLogP3.05
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(2-formylbenzoyl)phenyl] cyclopropanecarboxylate?
The IUPAC name of [2-(2-formylbenzoyl)phenyl] cyclopropanecarboxylate (CID 123439268) is [2-(2-formylbenzoyl)phenyl] cyclopropanecarboxylate.
What is the SMILES notation for [2-(2-formylbenzoyl)phenyl] cyclopropanecarboxylate?
The canonical SMILES for [2-(2-formylbenzoyl)phenyl] cyclopropanecarboxylate is O=Cc1ccccc1C(=O)c1ccccc1OC(=O)C1CC1.
What is the InChIKey of [2-(2-formylbenzoyl)phenyl] cyclopropanecarboxylate?
The InChIKey is KCVYJQWBBPGRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O4/c19-11-13-5-1-2-6-14(13)17(20)15-7-3-4-8-16(15)22-18(21)12-9-10-12/h1-8,11-12H,9-10H2.
What are the key properties of [2-(2-formylbenzoyl)phenyl] cyclopropanecarboxylate?
[2-(2-formylbenzoyl)phenyl] cyclopropanecarboxylate has a molecular weight of 294.31 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-formylbenzoyl)phenyl] cyclopropanecarboxylate is sourced from PubChem (CID 123439268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).