(2,3-dichlorophenyl) 4-ethylbenzoate

C15H12Cl2O2 — CID 91714670

IUPAC(2,3-dichlorophenyl) 4-ethylbenzoate
SMILESCCc1ccc(C(=O)Oc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C15H12Cl2O2/c1-2-10-6-8-11(9-7-10)15(18)19-13-5-3-4-12(16)14(13)17/h3-9H,2H2,1H3
InChIKeyKHQLOMXQMDYIIA-UHFFFAOYSA-N
MW295.17 g/mol
LogP4.78
Rot. Bonds3

About (2,3-dichlorophenyl) 4-ethylbenzoate

(2,3-dichlorophenyl) 4-ethylbenzoate (PubChem CID 91714670) has the molecular formula C15H12Cl2O2 and a molecular weight of 295.17 g/mol. Its IUPAC name is (2,3-dichlorophenyl) 4-ethylbenzoate.

Molecular Properties

Compound Name(2,3-dichlorophenyl) 4-ethylbenzoate
PubChem CID91714670
Molecular FormulaC15H12Cl2O2
Molecular Weight295.17 g/mol
Exact Mass294.02
IUPAC Name(2,3-dichlorophenyl) 4-ethylbenzoate
SMILESCCc1ccc(C(=O)Oc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C15H12Cl2O2/c1-2-10-6-8-11(9-7-10)15(18)19-13-5-3-4-12(16)14(13)17/h3-9H,2H2,1H3
InChIKeyKHQLOMXQMDYIIA-UHFFFAOYSA-N
XLogP4.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 54.78
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

(2-chlorophenyl) 4-ethylbenzoate
CID 583746
(2,3-dichlorophenyl) 4-(trifluoromethyl)benzoate
CID 91726267
3-O-(2,3-dichlorophenyl) 1-O-propyl benzene-1,3-dicarboxylate
CID 91730781
(2,3-dichlorophenyl) 4-(morpholin-4-ylmethyl)benzoate
CID 9045977
2-(2,3-dichlorophenyl)-1-(4-ethylphenyl)ethanone
CID 107307811
(2,3-dichlorophenyl) 3,4-difluorobenzoate
CID 91717059
4-O-(2-chlorophenyl) 1-O-ethyl benzene-1,4-dicarboxylate
CID 22994694
(2,3-dichlorophenyl) 2,3-dichlorobenzoate
CID 68641846
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-ethylbenzoate
CID 8015070
(4-ethylphenyl) 4-chlorobenzoate
CID 695931
(2-chlorophenyl) 4-(methylsulfonylmethyl)benzoate
CID 26096675
(2,3-dichlorophenyl) 2-bromoacetate
CID 91723900

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl) 4-ethylbenzoate?
The IUPAC name of (2,3-dichlorophenyl) 4-ethylbenzoate (CID 91714670) is (2,3-dichlorophenyl) 4-ethylbenzoate.
What is the SMILES notation for (2,3-dichlorophenyl) 4-ethylbenzoate?
The canonical SMILES for (2,3-dichlorophenyl) 4-ethylbenzoate is CCc1ccc(C(=O)Oc2cccc(Cl)c2Cl)cc1.
What is the InChIKey of (2,3-dichlorophenyl) 4-ethylbenzoate?
The InChIKey is KHQLOMXQMDYIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O2/c1-2-10-6-8-11(9-7-10)15(18)19-13-5-3-4-12(16)14(13)17/h3-9H,2H2,1H3.
What are the key properties of (2,3-dichlorophenyl) 4-ethylbenzoate?
(2,3-dichlorophenyl) 4-ethylbenzoate has a molecular weight of 295.17 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl) 4-ethylbenzoate is sourced from PubChem (CID 91714670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).