2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyethyl 2-hydroxybenzoate

C19H19ClO6 — CID 3040408

IUPAC2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyethyl 2-hydroxybenzoate
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)OCCOC(=O)c1ccccc1O
InChIInChI=1S/C19H19ClO6/c1-19(2,26-14-9-7-13(20)8-10-14)18(23)25-12-11-24-17(22)15-5-3-4-6-16(15)21/h3-10,21H,11-12H2,1-2H3
InChIKeyYPUXVLYCFMEAMG-UHFFFAOYSA-N
MW378.81 g/mol
LogP3.60
Rot. Bonds7

About 2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyethyl 2-hydroxybenzoate

2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyethyl 2-hydroxybenzoate (PubChem CID 3040408) has the molecular formula C19H19ClO6 and a molecular weight of 378.81 g/mol. Its IUPAC name is 2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyethyl 2-hydroxybenzoate.

Molecular Properties

Compound Name2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyethyl 2-hydroxybenzoate
PubChem CID3040408
Molecular FormulaC19H19ClO6
Molecular Weight378.81 g/mol
Exact Mass378.09
IUPAC Name2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyethyl 2-hydroxybenzoate
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)OCCOC(=O)c1ccccc1O
InChIInChI=1S/C19H19ClO6/c1-19(2,26-14-9-7-13(20)8-10-14)18(23)25-12-11-24-17(22)15-5-3-4-6-16(15)21/h3-10,21H,11-12H2,1-2H3
InChIKeyYPUXVLYCFMEAMG-UHFFFAOYSA-N
XLogP3.60
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.81
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Benzoic acid, 2-(carboxymethoxy)-
CID 69461
4H-1-Benzopyran-2-carboxylic acid, 6-chloro-4-oxo-
CID 21107
Ethanone, 2-(4-chlorophenoxy)-1-(2,4-dihydroxyphenyl)-
CID 2066126
2-(2-Phenoxyethoxy)benzoic acid
CID 2360902
2-(4-Chloro-2-formylphenoxy)acetic acid
CID 26696
4-Chlorophenyl salicylate
CID 76270
4-(4-Chlorophenoxymethyl)benzoic acid
CID 2063265
2-[2-(2-Carboxyphenoxy)ethoxy]benzoic acid
CID 2173682
2-(5-Chloro-2-ethoxy-phenyl)-3-hydroxy-chromen-4-one
CID 71733633
Chwastox D
CID 23673659
Ethyl 6-chloro-4-oxo-chromene-2-carboxylate
CID 217219
2-Allyloxy-5-chloro-benzoic acid
CID 1843886

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyethyl 2-hydroxybenzoate?
The IUPAC name of 2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyethyl 2-hydroxybenzoate (CID 3040408) is 2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyethyl 2-hydroxybenzoate.
What is the SMILES notation for 2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyethyl 2-hydroxybenzoate?
The canonical SMILES for 2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyethyl 2-hydroxybenzoate is CC(C)(Oc1ccc(Cl)cc1)C(=O)OCCOC(=O)c1ccccc1O.
What is the InChIKey of 2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyethyl 2-hydroxybenzoate?
The InChIKey is YPUXVLYCFMEAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClO6/c1-19(2,26-14-9-7-13(20)8-10-14)18(23)25-12-11-24-17(22)15-5-3-4-6-16(15)21/h3-10,21H,11-12H2,1-2H3.
What are the key properties of 2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyethyl 2-hydroxybenzoate?
2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyethyl 2-hydroxybenzoate has a molecular weight of 378.81 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyethyl 2-hydroxybenzoate is sourced from PubChem (CID 3040408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).