2-(4-methoxyphenoxy)ethyl 5-chloro-2-hydroxybenzoate

C16H15ClO5 — CID 7787466

IUPAC2-(4-methoxyphenoxy)ethyl 5-chloro-2-hydroxybenzoate
SMILESCOc1ccc(OCCOC(=O)c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C16H15ClO5/c1-20-12-3-5-13(6-4-12)21-8-9-22-16(19)14-10-11(17)2-7-15(14)18/h2-7,10,18H,8-9H2,1H3
InChIKeyFBXLXZPDOVGUFN-UHFFFAOYSA-N
MW322.74 g/mol
LogP3.29
Rot. Bonds6

About 2-(4-methoxyphenoxy)ethyl 5-chloro-2-hydroxybenzoate

2-(4-methoxyphenoxy)ethyl 5-chloro-2-hydroxybenzoate (PubChem CID 7787466) has the molecular formula C16H15ClO5 and a molecular weight of 322.74 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)ethyl 5-chloro-2-hydroxybenzoate.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)ethyl 5-chloro-2-hydroxybenzoate
PubChem CID7787466
Molecular FormulaC16H15ClO5
Molecular Weight322.74 g/mol
Exact Mass322.06
IUPAC Name2-(4-methoxyphenoxy)ethyl 5-chloro-2-hydroxybenzoate
SMILESCOc1ccc(OCCOC(=O)c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C16H15ClO5/c1-20-12-3-5-13(6-4-12)21-8-9-22-16(19)14-10-11(17)2-7-15(14)18/h2-7,10,18H,8-9H2,1H3
InChIKeyFBXLXZPDOVGUFN-UHFFFAOYSA-N
XLogP3.29
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.74
LogP ≤ 53.29
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

propyl 5-chloro-2-hydroxybenzoate
CID 43389601
2-(4-methoxyphenoxy)ethyl 2,4-dihydroxybenzoate
CID 2647186
2-(4-chlorophenoxy)ethyl 2,4,5-trimethoxybenzoate
CID 2488036
[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 18201249
2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2,5-dichlorobenzoate
CID 39412489
2-(4-methoxyphenoxy)ethyl 5-(dimethylsulfamoyl)-2-fluorobenzoate
CID 7976122
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2,5-dichlorobenzoate
CID 101066319
2-(4-chlorophenoxy)ethyl 2-methylquinoline-4-carboxylate
CID 7351431
dimethyl 5-amino-3-[(5-chloro-2-hydroxybenzoyl)oxymethyl]thiophene-2,4-dicarboxylate
CID 8604133
2-(4-methoxyphenoxy)ethyl 2-oxo-1H-pyridine-3-carboxylate
CID 3658733
2-(4-methoxyphenoxy)ethyl 3,4,5-trichloropyridine-2-carboxylate
CID 167892651
2-[2-(4-methoxyphenoxy)ethoxy]ethyl 2,4-dihydroxy-6-methylbenzoate
CID 19856989

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)ethyl 5-chloro-2-hydroxybenzoate?
The IUPAC name of 2-(4-methoxyphenoxy)ethyl 5-chloro-2-hydroxybenzoate (CID 7787466) is 2-(4-methoxyphenoxy)ethyl 5-chloro-2-hydroxybenzoate.
What is the SMILES notation for 2-(4-methoxyphenoxy)ethyl 5-chloro-2-hydroxybenzoate?
The canonical SMILES for 2-(4-methoxyphenoxy)ethyl 5-chloro-2-hydroxybenzoate is COc1ccc(OCCOC(=O)c2cc(Cl)ccc2O)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)ethyl 5-chloro-2-hydroxybenzoate?
The InChIKey is FBXLXZPDOVGUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO5/c1-20-12-3-5-13(6-4-12)21-8-9-22-16(19)14-10-11(17)2-7-15(14)18/h2-7,10,18H,8-9H2,1H3.
What are the key properties of 2-(4-methoxyphenoxy)ethyl 5-chloro-2-hydroxybenzoate?
2-(4-methoxyphenoxy)ethyl 5-chloro-2-hydroxybenzoate has a molecular weight of 322.74 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)ethyl 5-chloro-2-hydroxybenzoate is sourced from PubChem (CID 7787466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).