ethyl 5-chloro-2,3,4-triethoxybenzoate

C15H21ClO5 — CID 96709826

IUPACethyl 5-chloro-2,3,4-triethoxybenzoate
SMILESCCOC(=O)c1cc(Cl)c(OCC)c(OCC)c1OCC
InChIInChI=1S/C15H21ClO5/c1-5-18-12-10(15(17)21-8-4)9-11(16)13(19-6-2)14(12)20-7-3/h9H,5-8H2,1-4H3
InChIKeyRGVSHMQIIYDDQY-UHFFFAOYSA-N
MW316.78 g/mol
LogP3.71
Rot. Bonds8

About ethyl 5-chloro-2,3,4-triethoxybenzoate

ethyl 5-chloro-2,3,4-triethoxybenzoate (PubChem CID 96709826) has the molecular formula C15H21ClO5 and a molecular weight of 316.78 g/mol. Its IUPAC name is ethyl 5-chloro-2,3,4-triethoxybenzoate.

Molecular Properties

Compound Nameethyl 5-chloro-2,3,4-triethoxybenzoate
PubChem CID96709826
Molecular FormulaC15H21ClO5
Molecular Weight316.78 g/mol
Exact Mass316.11
IUPAC Nameethyl 5-chloro-2,3,4-triethoxybenzoate
SMILESCCOC(=O)c1cc(Cl)c(OCC)c(OCC)c1OCC
InChIInChI=1S/C15H21ClO5/c1-5-18-12-10(15(17)21-8-4)9-11(16)13(19-6-2)14(12)20-7-3/h9H,5-8H2,1-4H3
InChIKeyRGVSHMQIIYDDQY-UHFFFAOYSA-N
XLogP3.71
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.78
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 5-chloro-2,3,4-triethoxybenzoate
CID 96709827
diethyl 4,5-dichlorobenzene-1,2-dicarboxylate
CID 10517655
ethyl 5-chloro-2,4-diethoxybenzoate
CID 82551541
ethyl 3-bromo-5-chloro-2-ethoxybenzoate
CID 50880228
ethyl 2,5-dichloro-3-hydroxy-4-methoxybenzoate
CID 170855720
ethyl 2-chloro-4,5-dimethylbenzoate
CID 82550536
ethyl 4-amino-2,3-diethoxybenzoate
CID 69259222
ethyl 4-bromo-2-chloro-3,5-diethoxybenzoate
CID 155595638
ethyl 4-tert-butyl-5-chloro-2-ethoxybenzoate
CID 67245813
ethyl 2-chloro-4,5-dihydroxybenzoate
CID 54196354
ethyl 3,5-dichloro-2-methylbenzoate
CID 82883321
ethyl 3-tert-butyl-2-ethoxy-5-methylbenzoate
CID 82551645

Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-2,3,4-triethoxybenzoate?
The IUPAC name of ethyl 5-chloro-2,3,4-triethoxybenzoate (CID 96709826) is ethyl 5-chloro-2,3,4-triethoxybenzoate.
What is the SMILES notation for ethyl 5-chloro-2,3,4-triethoxybenzoate?
The canonical SMILES for ethyl 5-chloro-2,3,4-triethoxybenzoate is CCOC(=O)c1cc(Cl)c(OCC)c(OCC)c1OCC.
What is the InChIKey of ethyl 5-chloro-2,3,4-triethoxybenzoate?
The InChIKey is RGVSHMQIIYDDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO5/c1-5-18-12-10(15(17)21-8-4)9-11(16)13(19-6-2)14(12)20-7-3/h9H,5-8H2,1-4H3.
What are the key properties of ethyl 5-chloro-2,3,4-triethoxybenzoate?
ethyl 5-chloro-2,3,4-triethoxybenzoate has a molecular weight of 316.78 g/mol, XLogP of 3.71, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chloro-2,3,4-triethoxybenzoate is sourced from PubChem (CID 96709826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).