(4-ethylphenyl) 3-chlorobenzoate

C15H13ClO2 — CID 7314075

IUPAC(4-ethylphenyl) 3-chlorobenzoate
SMILESCCc1ccc(OC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C15H13ClO2/c1-2-11-6-8-14(9-7-11)18-15(17)12-4-3-5-13(16)10-12/h3-10H,2H2,1H3
InChIKeyGZUNYMHFZHWYBU-UHFFFAOYSA-N
MW260.72 g/mol
LogP4.12
Rot. Bonds3

About (4-ethylphenyl) 3-chlorobenzoate

(4-ethylphenyl) 3-chlorobenzoate (PubChem CID 7314075) has the molecular formula C15H13ClO2 and a molecular weight of 260.72 g/mol. Its IUPAC name is (4-ethylphenyl) 3-chlorobenzoate.

Molecular Properties

Compound Name(4-ethylphenyl) 3-chlorobenzoate
PubChem CID7314075
Molecular FormulaC15H13ClO2
Molecular Weight260.72 g/mol
Exact Mass260.06
IUPAC Name(4-ethylphenyl) 3-chlorobenzoate
SMILESCCc1ccc(OC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C15H13ClO2/c1-2-11-6-8-14(9-7-11)18-15(17)12-4-3-5-13(16)10-12/h3-10H,2H2,1H3
InChIKeyGZUNYMHFZHWYBU-UHFFFAOYSA-N
XLogP4.12
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 ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-chlorophenyl) 3-chlorobenzoate
CID 23011218
(4-ethylphenyl) 4-chlorobenzoate
CID 695931
(3-chlorophenyl) 3-chlorobenzoate
CID 15128068
(4-phenylphenyl) 3-chlorobenzoate
CID 7313882
(4-ethylphenyl) 3-cyanobenzoate
CID 4814388
1-(3-chlorophenyl)-2-(4-ethylphenyl)ethanone
CID 63411862
propyl 3-(3-chlorobenzoyl)oxybenzoate
CID 17169663
methyl 3-chlorobenzenecarboperoxoate
CID 118256511
(4-propylphenyl) 3-fluorobenzoate
CID 19175128
[2-amino-3-cyano-4-(4-ethylphenyl)-4H-chromen-7-yl] 3-chlorobenzoate
CID 19123723
propan-2-yl 3-(3-chlorobenzoyl)oxybenzoate
CID 17162400
[4-(2-phenoxyethoxycarbonyl)phenyl] 3-chlorobenzoate
CID 17151501

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl) 3-chlorobenzoate?
The IUPAC name of (4-ethylphenyl) 3-chlorobenzoate (CID 7314075) is (4-ethylphenyl) 3-chlorobenzoate.
What is the SMILES notation for (4-ethylphenyl) 3-chlorobenzoate?
The canonical SMILES for (4-ethylphenyl) 3-chlorobenzoate is CCc1ccc(OC(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of (4-ethylphenyl) 3-chlorobenzoate?
The InChIKey is GZUNYMHFZHWYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2/c1-2-11-6-8-14(9-7-11)18-15(17)12-4-3-5-13(16)10-12/h3-10H,2H2,1H3.
What are the key properties of (4-ethylphenyl) 3-chlorobenzoate?
(4-ethylphenyl) 3-chlorobenzoate has a molecular weight of 260.72 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl) 3-chlorobenzoate is sourced from PubChem (CID 7314075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).