2-methoxyethyl 3-tert-butyl-5-chlorobenzoate

C14H19ClO3 — CID 171727915

IUPAC2-methoxyethyl 3-tert-butyl-5-chlorobenzoate
SMILESCOCCOC(=O)c1cc(Cl)cc(C(C)(C)C)c1
InChIInChI=1S/C14H19ClO3/c1-14(2,3)11-7-10(8-12(15)9-11)13(16)18-6-5-17-4/h7-9H,5-6H2,1-4H3
InChIKeyLRZNFDPDGLUYDS-UHFFFAOYSA-N
MW270.76 g/mol
LogP3.44
Rot. Bonds4

About 2-methoxyethyl 3-tert-butyl-5-chlorobenzoate

2-methoxyethyl 3-tert-butyl-5-chlorobenzoate (PubChem CID 171727915) has the molecular formula C14H19ClO3 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-methoxyethyl 3-tert-butyl-5-chlorobenzoate.

Molecular Properties

Compound Name2-methoxyethyl 3-tert-butyl-5-chlorobenzoate
PubChem CID171727915
Molecular FormulaC14H19ClO3
Molecular Weight270.76 g/mol
Exact Mass270.10
IUPAC Name2-methoxyethyl 3-tert-butyl-5-chlorobenzoate
SMILESCOCCOC(=O)c1cc(Cl)cc(C(C)(C)C)c1
InChIInChI=1S/C14H19ClO3/c1-14(2,3)11-7-10(8-12(15)9-11)13(16)18-6-5-17-4/h7-9H,5-6H2,1-4H3
InChIKeyLRZNFDPDGLUYDS-UHFFFAOYSA-N
XLogP3.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-tert-butyl-5-chlorobenzoate
CID 24729628
2-(2-methoxyethoxy)ethyl 3-chloro-5-methylbenzoate
CID 176947358
propyl 3,5-ditert-butylbenzoate
CID 70182189
ethyl 3-chloro-5-(trifluoromethyl)benzoate
CID 46311318
[2-(4-tert-butylphenyl)-2-oxoethyl] 3,5-dichlorobenzoate
CID 7723974
6-[12-[6-(3,5-ditert-butylbenzoyl)oxyhexylamino]dodecylamino]hexyl 3,5-ditert-butylbenzoate
CID 102279109
2-methoxyethyl 2,5-dichloro-3-sulfamoylbenzoate
CID 65380265
2-methoxyethyl 3-chlorosulfonyl-5-methylbenzoate
CID 65375465
2-(3-methoxypropoxy)ethyl 2,6-dichloropyridine-4-carboxylate
CID 103181345
ethyl 3-amino-5-tert-butylbenzoate
CID 66733097
2-[(2-methylpropan-2-yl)oxy]ethyl 4-amino-3,5-dichlorobenzoate
CID 112706585
2-methoxyethyl 4-[(3-chlorobenzoyl)amino]benzoate
CID 19169303

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 3-tert-butyl-5-chlorobenzoate?
The IUPAC name of 2-methoxyethyl 3-tert-butyl-5-chlorobenzoate (CID 171727915) is 2-methoxyethyl 3-tert-butyl-5-chlorobenzoate.
What is the SMILES notation for 2-methoxyethyl 3-tert-butyl-5-chlorobenzoate?
The canonical SMILES for 2-methoxyethyl 3-tert-butyl-5-chlorobenzoate is COCCOC(=O)c1cc(Cl)cc(C(C)(C)C)c1.
What is the InChIKey of 2-methoxyethyl 3-tert-butyl-5-chlorobenzoate?
The InChIKey is LRZNFDPDGLUYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO3/c1-14(2,3)11-7-10(8-12(15)9-11)13(16)18-6-5-17-4/h7-9H,5-6H2,1-4H3.
What are the key properties of 2-methoxyethyl 3-tert-butyl-5-chlorobenzoate?
2-methoxyethyl 3-tert-butyl-5-chlorobenzoate has a molecular weight of 270.76 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 3-tert-butyl-5-chlorobenzoate is sourced from PubChem (CID 171727915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).