benzyl 2-chloro-2-phenylacetate

C15H13ClO2 — CID 4189917

IUPACbenzyl 2-chloro-2-phenylacetate
SMILESO=C(OCc1ccccc1)C(Cl)c1ccccc1
InChIInChI=1S/C15H13ClO2/c16-14(13-9-5-2-6-10-13)15(17)18-11-12-7-3-1-4-8-12/h1-10,14H,11H2
InChIKeyMUVYSAMUJCAUPE-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.71
Rot. Bonds4

About benzyl 2-chloro-2-phenylacetate

benzyl 2-chloro-2-phenylacetate (PubChem CID 4189917) has the molecular formula C15H13ClO2 and a molecular weight of 260.72 g/mol. Its IUPAC name is benzyl 2-chloro-2-phenylacetate.

Molecular Properties

Compound Namebenzyl 2-chloro-2-phenylacetate
PubChem CID4189917
Molecular FormulaC15H13ClO2
Molecular Weight260.72 g/mol
Exact Mass260.06
IUPAC Namebenzyl 2-chloro-2-phenylacetate
SMILESO=C(OCc1ccccc1)C(Cl)c1ccccc1
InChIInChI=1S/C15H13ClO2/c16-14(13-9-5-2-6-10-13)15(17)18-11-12-7-3-1-4-8-12/h1-10,14H,11H2
InChIKeyMUVYSAMUJCAUPE-UHFFFAOYSA-N
XLogP3.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.71
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 benzyl 2-chloro-2-phenylacetate?
The IUPAC name of benzyl 2-chloro-2-phenylacetate (CID 4189917) is benzyl 2-chloro-2-phenylacetate.
What is the SMILES notation for benzyl 2-chloro-2-phenylacetate?
The canonical SMILES for benzyl 2-chloro-2-phenylacetate is O=C(OCc1ccccc1)C(Cl)c1ccccc1.
What is the InChIKey of benzyl 2-chloro-2-phenylacetate?
The InChIKey is MUVYSAMUJCAUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2/c16-14(13-9-5-2-6-10-13)15(17)18-11-12-7-3-1-4-8-12/h1-10,14H,11H2.
What are the key properties of benzyl 2-chloro-2-phenylacetate?
benzyl 2-chloro-2-phenylacetate has a molecular weight of 260.72 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-chloro-2-phenylacetate is sourced from PubChem (CID 4189917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).