(2-ethoxyphenyl) 3,4-dichlorobenzoate

C15H12Cl2O3 — CID 733877

IUPAC(2-ethoxyphenyl) 3,4-dichlorobenzoate
SMILESCCOc1ccccc1OC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl2O3/c1-2-19-13-5-3-4-6-14(13)20-15(18)10-7-8-11(16)12(17)9-10/h3-9H,2H2,1H3
InChIKeyWIROQENNMCIDAH-UHFFFAOYSA-N
MW311.16 g/mol
LogP4.61
Rot. Bonds4

About (2-ethoxyphenyl) 3,4-dichlorobenzoate

(2-ethoxyphenyl) 3,4-dichlorobenzoate (PubChem CID 733877) has the molecular formula C15H12Cl2O3 and a molecular weight of 311.16 g/mol. Its IUPAC name is (2-ethoxyphenyl) 3,4-dichlorobenzoate.

Molecular Properties

Compound Name(2-ethoxyphenyl) 3,4-dichlorobenzoate
PubChem CID733877
Molecular FormulaC15H12Cl2O3
Molecular Weight311.16 g/mol
Exact Mass310.02
IUPAC Name(2-ethoxyphenyl) 3,4-dichlorobenzoate
SMILESCCOc1ccccc1OC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl2O3/c1-2-19-13-5-3-4-6-14(13)20-15(18)10-7-8-11(16)12(17)9-10/h3-9H,2H2,1H3
InChIKeyWIROQENNMCIDAH-UHFFFAOYSA-N
XLogP4.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.16
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-ethoxyphenyl) 4-ethoxybenzoate
CID 176892652
(2-ethoxyphenyl) 4-propan-2-ylbenzoate
CID 1406532
3,4-dichloro-N'-[2-(2-ethoxyphenoxy)acetyl]benzohydrazide
CID 2091621
(2-ethoxyphenyl) 3-methoxybenzoate
CID 19184767
4-O-(2-chlorophenyl) 1-O-ethyl benzene-1,4-dicarboxylate
CID 22994694
(2-chlorophenyl) 4-ethylbenzoate
CID 583746
(2-chlorophenyl) 3,4-dimethoxybenzoate
CID 19181520
3-chloro-4-(2-ethoxyphenoxy)benzoic acid
CID 63089145
(1-iodonaphthalen-2-yl) 3,4-dichlorobenzoate
CID 2725721
(2-phenylphenyl) 3-bromo-4-ethoxybenzoate
CID 23013390
methanamine;methyl 3-chloro-4-ethoxybenzoate
CID 23512246
methyl 4-benzoyloxy-3-chlorobenzoate
CID 47098649

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl) 3,4-dichlorobenzoate?
The IUPAC name of (2-ethoxyphenyl) 3,4-dichlorobenzoate (CID 733877) is (2-ethoxyphenyl) 3,4-dichlorobenzoate.
What is the SMILES notation for (2-ethoxyphenyl) 3,4-dichlorobenzoate?
The canonical SMILES for (2-ethoxyphenyl) 3,4-dichlorobenzoate is CCOc1ccccc1OC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2-ethoxyphenyl) 3,4-dichlorobenzoate?
The InChIKey is WIROQENNMCIDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O3/c1-2-19-13-5-3-4-6-14(13)20-15(18)10-7-8-11(16)12(17)9-10/h3-9H,2H2,1H3.
What are the key properties of (2-ethoxyphenyl) 3,4-dichlorobenzoate?
(2-ethoxyphenyl) 3,4-dichlorobenzoate has a molecular weight of 311.16 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl) 3,4-dichlorobenzoate is sourced from PubChem (CID 733877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).