ethyl 4-tert-butyl-5-chloro-2-ethoxybenzoate

C15H21ClO3 — CID 67245813

IUPACethyl 4-tert-butyl-5-chloro-2-ethoxybenzoate
SMILESCCOC(=O)c1cc(Cl)c(C(C)(C)C)cc1OCC
InChIInChI=1S/C15H21ClO3/c1-6-18-13-9-11(15(3,4)5)12(16)8-10(13)14(17)19-7-2/h8-9H,6-7H2,1-5H3
InChIKeyFGZKUCLNLXZHGH-UHFFFAOYSA-N
MW284.78 g/mol
LogP4.21
Rot. Bonds4

About ethyl 4-tert-butyl-5-chloro-2-ethoxybenzoate

ethyl 4-tert-butyl-5-chloro-2-ethoxybenzoate (PubChem CID 67245813) has the molecular formula C15H21ClO3 and a molecular weight of 284.78 g/mol. Its IUPAC name is ethyl 4-tert-butyl-5-chloro-2-ethoxybenzoate.

Molecular Properties

Compound Nameethyl 4-tert-butyl-5-chloro-2-ethoxybenzoate
PubChem CID67245813
Molecular FormulaC15H21ClO3
Molecular Weight284.78 g/mol
Exact Mass284.12
IUPAC Nameethyl 4-tert-butyl-5-chloro-2-ethoxybenzoate
SMILESCCOC(=O)c1cc(Cl)c(C(C)(C)C)cc1OCC
InChIInChI=1S/C15H21ClO3/c1-6-18-13-9-11(15(3,4)5)12(16)8-10(13)14(17)19-7-2/h8-9H,6-7H2,1-5H3
InChIKeyFGZKUCLNLXZHGH-UHFFFAOYSA-N
XLogP4.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.78
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 4-tert-butyl-5-chloro-2-ethoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-chloro-2,4-diethoxybenzoate
CID 82551541
diethyl 4,5-dichlorobenzene-1,2-dicarboxylate
CID 10517655
ethyl 4-chloro-5-cyano-2-ethoxybenzoate
CID 68871558
ethyl 4-chloro-5-(dimethylsulfamoyl)-2-ethoxybenzoate
CID 68872377
ethyl 5-chloro-2,3,4-triethoxybenzoate
CID 96709826
ethyl 3-tert-butyl-2-ethoxy-5-methylbenzoate
CID 82551645
diethyl 2,5-dibutoxybenzene-1,4-dicarboxylate
CID 639937
2-O-(2,2-dimethylpropyl) 1-O-ethyl 4-chloro-5-methylbenzene-1,2-dicarboxylate
CID 69119809
ethyl 4,5-dichloro-2-(difluoromethoxy)benzoate
CID 121228210
ethyl 4-ethoxy-2,5-dimethylbenzoate
CID 82552309
ethyl 4-carbamoyl-2-ethoxybenzoate
CID 132570188
2-O-(2,2-dimethylpropyl) 1-O-ethyl 4-chloro-5-ethylbenzene-1,2-dicarboxylate
CID 69119690

Frequently Asked Questions

What is the IUPAC name of ethyl 4-tert-butyl-5-chloro-2-ethoxybenzoate?
The IUPAC name of ethyl 4-tert-butyl-5-chloro-2-ethoxybenzoate (CID 67245813) is ethyl 4-tert-butyl-5-chloro-2-ethoxybenzoate.
What is the SMILES notation for ethyl 4-tert-butyl-5-chloro-2-ethoxybenzoate?
The canonical SMILES for ethyl 4-tert-butyl-5-chloro-2-ethoxybenzoate is CCOC(=O)c1cc(Cl)c(C(C)(C)C)cc1OCC.
What is the InChIKey of ethyl 4-tert-butyl-5-chloro-2-ethoxybenzoate?
The InChIKey is FGZKUCLNLXZHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO3/c1-6-18-13-9-11(15(3,4)5)12(16)8-10(13)14(17)19-7-2/h8-9H,6-7H2,1-5H3.
What are the key properties of ethyl 4-tert-butyl-5-chloro-2-ethoxybenzoate?
ethyl 4-tert-butyl-5-chloro-2-ethoxybenzoate has a molecular weight of 284.78 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-tert-butyl-5-chloro-2-ethoxybenzoate is sourced from PubChem (CID 67245813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).