2-(4-chlorophenoxy)ethyl 3-chloro-5-ethoxy-4-hydroxybenzoate

C17H16Cl2O5 — CID 7358999

IUPAC2-(4-chlorophenoxy)ethyl 3-chloro-5-ethoxy-4-hydroxybenzoate
SMILESCCOc1cc(C(=O)OCCOc2ccc(Cl)cc2)cc(Cl)c1O
InChIInChI=1S/C17H16Cl2O5/c1-2-22-15-10-11(9-14(19)16(15)20)17(21)24-8-7-23-13-5-3-12(18)4-6-13/h3-6,9-10,20H,2,7-8H2,1H3
InChIKeyJFEIAJAWEDQHDW-UHFFFAOYSA-N
MW371.22 g/mol
LogP4.33
Rot. Bonds7

About 2-(4-chlorophenoxy)ethyl 3-chloro-5-ethoxy-4-hydroxybenzoate

2-(4-chlorophenoxy)ethyl 3-chloro-5-ethoxy-4-hydroxybenzoate (PubChem CID 7358999) has the molecular formula C17H16Cl2O5 and a molecular weight of 371.22 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)ethyl 3-chloro-5-ethoxy-4-hydroxybenzoate.

Molecular Properties

Compound Name2-(4-chlorophenoxy)ethyl 3-chloro-5-ethoxy-4-hydroxybenzoate
PubChem CID7358999
Molecular FormulaC17H16Cl2O5
Molecular Weight371.22 g/mol
Exact Mass370.04
IUPAC Name2-(4-chlorophenoxy)ethyl 3-chloro-5-ethoxy-4-hydroxybenzoate
SMILESCCOc1cc(C(=O)OCCOc2ccc(Cl)cc2)cc(Cl)c1O
InChIInChI=1S/C17H16Cl2O5/c1-2-22-15-10-11(9-14(19)16(15)20)17(21)24-8-7-23-13-5-3-12(18)4-6-13/h3-6,9-10,20H,2,7-8H2,1H3
InChIKeyJFEIAJAWEDQHDW-UHFFFAOYSA-N
XLogP4.33
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.22
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-ethoxyanilino)-2-oxoethyl] 3-chloro-5-ethoxy-4-hydroxybenzoate
CID 7359100
methyl 3-chloro-5-ethoxy-4-hydroxybenzoate
CID 83953268
(2-chloro-6-fluorophenyl)methyl 3-chloro-5-ethoxy-4-hydroxybenzoate
CID 7359071
2-(4-chlorophenoxy)ethyl 4-methylbenzoate
CID 126608900
ethyl 4-[11-(4-chlorophenoxy)undecoxy]benzoate
CID 21319306
(2-cyanophenyl)methyl 3-chloro-5-ethoxy-4-hydroxybenzoate
CID 7571487
2-(4-chlorophenoxy)ethyl 2,4,5-trimethoxybenzoate
CID 2488036
[2-(4-chlorophenyl)-2-oxoethyl] 3-chloro-4,5-diethoxybenzoate
CID 3931709
2-(4-chlorophenoxy)ethyl 4-(4-acetyloxyphenyl)benzoate
CID 7807558
[2-(3-acetamidoanilino)-2-oxoethyl] 3-chloro-5-ethoxy-4-hydroxybenzoate
CID 7358995
(E)-3-(3-chloro-5-ethoxy-4-hydroxyphenyl)-1-(4-chlorophenyl)prop-2-en-1-one
CID 8833031
2-(4-chlorophenoxy)ethyl 3-(methoxymethyl)benzoate
CID 55386131

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)ethyl 3-chloro-5-ethoxy-4-hydroxybenzoate?
The IUPAC name of 2-(4-chlorophenoxy)ethyl 3-chloro-5-ethoxy-4-hydroxybenzoate (CID 7358999) is 2-(4-chlorophenoxy)ethyl 3-chloro-5-ethoxy-4-hydroxybenzoate.
What is the SMILES notation for 2-(4-chlorophenoxy)ethyl 3-chloro-5-ethoxy-4-hydroxybenzoate?
The canonical SMILES for 2-(4-chlorophenoxy)ethyl 3-chloro-5-ethoxy-4-hydroxybenzoate is CCOc1cc(C(=O)OCCOc2ccc(Cl)cc2)cc(Cl)c1O.
What is the InChIKey of 2-(4-chlorophenoxy)ethyl 3-chloro-5-ethoxy-4-hydroxybenzoate?
The InChIKey is JFEIAJAWEDQHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2O5/c1-2-22-15-10-11(9-14(19)16(15)20)17(21)24-8-7-23-13-5-3-12(18)4-6-13/h3-6,9-10,20H,2,7-8H2,1H3.
What are the key properties of 2-(4-chlorophenoxy)ethyl 3-chloro-5-ethoxy-4-hydroxybenzoate?
2-(4-chlorophenoxy)ethyl 3-chloro-5-ethoxy-4-hydroxybenzoate has a molecular weight of 371.22 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)ethyl 3-chloro-5-ethoxy-4-hydroxybenzoate is sourced from PubChem (CID 7358999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).