ethyl-(4-phenylbenzoyl)oxychloranium

C15H14ClO2+ — CID 148936273

IUPACethyl-(4-phenylbenzoyl)oxychloranium
SMILESCC[Cl+]OC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H14ClO2/c1-2-16-18-15(17)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,2H2,1H3/q+1
InChIKeyPMZWVDFNYKEMMZ-UHFFFAOYSA-N
MW261.73 g/mol
LogP3.53
Rot. Bonds4

About ethyl-(4-phenylbenzoyl)oxychloranium

ethyl-(4-phenylbenzoyl)oxychloranium (PubChem CID 148936273) has the molecular formula C15H14ClO2+ and a molecular weight of 261.73 g/mol. Its IUPAC name is ethyl-(4-phenylbenzoyl)oxychloranium.

Molecular Properties

Compound Nameethyl-(4-phenylbenzoyl)oxychloranium
PubChem CID148936273
Molecular FormulaC15H14ClO2+
Molecular Weight261.73 g/mol
Exact Mass261.07
IUPAC Nameethyl-(4-phenylbenzoyl)oxychloranium
SMILESCC[Cl+]OC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H14ClO2/c1-2-16-18-15(17)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,2H2,1H3/q+1
InChIKeyPMZWVDFNYKEMMZ-UHFFFAOYSA-N
XLogP3.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl-(4-phenylbenzoyl)oxychloranium?
The IUPAC name of ethyl-(4-phenylbenzoyl)oxychloranium (CID 148936273) is ethyl-(4-phenylbenzoyl)oxychloranium.
What is the SMILES notation for ethyl-(4-phenylbenzoyl)oxychloranium?
The canonical SMILES for ethyl-(4-phenylbenzoyl)oxychloranium is CC[Cl+]OC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of ethyl-(4-phenylbenzoyl)oxychloranium?
The InChIKey is PMZWVDFNYKEMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClO2/c1-2-16-18-15(17)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,2H2,1H3/q+1.
What are the key properties of ethyl-(4-phenylbenzoyl)oxychloranium?
ethyl-(4-phenylbenzoyl)oxychloranium has a molecular weight of 261.73 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-(4-phenylbenzoyl)oxychloranium is sourced from PubChem (CID 148936273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).