2-(3-chlorophenyl)ethyl benzoate

C15H13ClO2 — CID 132838767

IUPAC2-(3-chlorophenyl)ethyl benzoate
SMILESO=C(OCCc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C15H13ClO2/c16-14-8-4-5-12(11-14)9-10-18-15(17)13-6-2-1-3-7-13/h1-8,11H,9-10H2
InChIKeyBTLSETYNLKGWAQ-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.74
Rot. Bonds4

About 2-(3-chlorophenyl)ethyl benzoate

2-(3-chlorophenyl)ethyl benzoate (PubChem CID 132838767) has the molecular formula C15H13ClO2 and a molecular weight of 260.72 g/mol. Its IUPAC name is 2-(3-chlorophenyl)ethyl benzoate.

Molecular Properties

Compound Name2-(3-chlorophenyl)ethyl benzoate
PubChem CID132838767
Molecular FormulaC15H13ClO2
Molecular Weight260.72 g/mol
Exact Mass260.06
IUPAC Name2-(3-chlorophenyl)ethyl benzoate
SMILESO=C(OCCc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C15H13ClO2/c16-14-8-4-5-12(11-14)9-10-18-15(17)13-6-2-1-3-7-13/h1-8,11H,9-10H2
InChIKeyBTLSETYNLKGWAQ-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)ethyl benzoate?
The IUPAC name of 2-(3-chlorophenyl)ethyl benzoate (CID 132838767) is 2-(3-chlorophenyl)ethyl benzoate.
What is the SMILES notation for 2-(3-chlorophenyl)ethyl benzoate?
The canonical SMILES for 2-(3-chlorophenyl)ethyl benzoate is O=C(OCCc1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of 2-(3-chlorophenyl)ethyl benzoate?
The InChIKey is BTLSETYNLKGWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2/c16-14-8-4-5-12(11-14)9-10-18-15(17)13-6-2-1-3-7-13/h1-8,11H,9-10H2.
What are the key properties of 2-(3-chlorophenyl)ethyl benzoate?
2-(3-chlorophenyl)ethyl benzoate has a molecular weight of 260.72 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)ethyl benzoate is sourced from PubChem (CID 132838767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).