ethyl 4-(3-chlorophenyl)benzoate

C15H13ClO2 — CID 53417171

IUPACethyl 4-(3-chlorophenyl)benzoate
SMILESCCOC(=O)c1ccc(-c2cccc(Cl)c2)cc1
InChIInChI=1S/C15H13ClO2/c1-2-18-15(17)12-8-6-11(7-9-12)13-4-3-5-14(16)10-13/h3-10H,2H2,1H3
InChIKeySKDAHVHFRNUCRU-UHFFFAOYSA-N
MW260.72 g/mol
LogP4.18
Rot. Bonds3

About ethyl 4-(3-chlorophenyl)benzoate

ethyl 4-(3-chlorophenyl)benzoate (PubChem CID 53417171) has the molecular formula C15H13ClO2 and a molecular weight of 260.72 g/mol. Its IUPAC name is ethyl 4-(3-chlorophenyl)benzoate.

Molecular Properties

Compound Nameethyl 4-(3-chlorophenyl)benzoate
PubChem CID53417171
Molecular FormulaC15H13ClO2
Molecular Weight260.72 g/mol
Exact Mass260.06
IUPAC Nameethyl 4-(3-chlorophenyl)benzoate
SMILESCCOC(=O)c1ccc(-c2cccc(Cl)c2)cc1
InChIInChI=1S/C15H13ClO2/c1-2-18-15(17)12-8-6-11(7-9-12)13-4-3-5-14(16)10-13/h3-10H,2H2,1H3
InChIKeySKDAHVHFRNUCRU-UHFFFAOYSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-chlorophenyl)benzoate?
The IUPAC name of ethyl 4-(3-chlorophenyl)benzoate (CID 53417171) is ethyl 4-(3-chlorophenyl)benzoate.
What is the SMILES notation for ethyl 4-(3-chlorophenyl)benzoate?
The canonical SMILES for ethyl 4-(3-chlorophenyl)benzoate is CCOC(=O)c1ccc(-c2cccc(Cl)c2)cc1.
What is the InChIKey of ethyl 4-(3-chlorophenyl)benzoate?
The InChIKey is SKDAHVHFRNUCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2/c1-2-18-15(17)12-8-6-11(7-9-12)13-4-3-5-14(16)10-13/h3-10H,2H2,1H3.
What are the key properties of ethyl 4-(3-chlorophenyl)benzoate?
ethyl 4-(3-chlorophenyl)benzoate has a molecular weight of 260.72 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-chlorophenyl)benzoate is sourced from PubChem (CID 53417171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).