prop-2-enyl 3-chloro-5-ethoxy-4-(4-methoxybenzoyl)oxybenzoate

C20H19ClO6 — CID 91680031

IUPACprop-2-enyl 3-chloro-5-ethoxy-4-(4-methoxybenzoyl)oxybenzoate
SMILESC=CCOC(=O)c1cc(Cl)c(OC(=O)c2ccc(OC)cc2)c(OCC)c1
InChIInChI=1S/C20H19ClO6/c1-4-10-26-19(22)14-11-16(21)18(17(12-14)25-5-2)27-20(23)13-6-8-15(24-3)9-7-13/h4,6-9,11-12H,1,5,10H2,2-3H3
InChIKeyWPLZZLGDOKHLEN-UHFFFAOYSA-N
MW390.82 g/mol
LogP4.31
Rot. Bonds8

About prop-2-enyl 3-chloro-5-ethoxy-4-(4-methoxybenzoyl)oxybenzoate

prop-2-enyl 3-chloro-5-ethoxy-4-(4-methoxybenzoyl)oxybenzoate (PubChem CID 91680031) has the molecular formula C20H19ClO6 and a molecular weight of 390.82 g/mol. Its IUPAC name is prop-2-enyl 3-chloro-5-ethoxy-4-(4-methoxybenzoyl)oxybenzoate.

Molecular Properties

Compound Nameprop-2-enyl 3-chloro-5-ethoxy-4-(4-methoxybenzoyl)oxybenzoate
PubChem CID91680031
Molecular FormulaC20H19ClO6
Molecular Weight390.82 g/mol
Exact Mass390.09
IUPAC Nameprop-2-enyl 3-chloro-5-ethoxy-4-(4-methoxybenzoyl)oxybenzoate
SMILESC=CCOC(=O)c1cc(Cl)c(OC(=O)c2ccc(OC)cc2)c(OCC)c1
InChIInChI=1S/C20H19ClO6/c1-4-10-26-19(22)14-11-16(21)18(17(12-14)25-5-2)27-20(23)13-6-8-15(24-3)9-7-13/h4,6-9,11-12H,1,5,10H2,2-3H3
InChIKeyWPLZZLGDOKHLEN-UHFFFAOYSA-N
XLogP4.31
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.82
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-chloro-4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-ethoxyphenyl] 4-methoxybenzoate
CID 19574996
[2-chloro-6-ethoxy-4-[(E)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-methoxybenzoate
CID 2277140
prop-2-enyl 3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxybenzoate
CID 91682255
prop-2-enyl 3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]benzoate
CID 91682236
(2-chloro-4-cyano-6-ethoxyphenyl) 3,5-dimethoxybenzoate
CID 8624290
[2-chloro-6-ethoxy-4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-methoxybenzoate
CID 19575019
prop-2-enyl 3-bromo-4-ethoxybenzoate
CID 54793268
[2-chloro-4-(hydroxymethyl)-6-methoxyphenyl] 4-methoxybenzoate
CID 91680036
[4-(4-methoxyphenoxy)carbonylphenyl] 4-prop-2-enoxybenzoate
CID 18368747
(4-prop-2-enoxyphenyl) 4-methoxybenzoate
CID 71332396
prop-2-enyl 3,5-dimethoxy-4-prop-2-enoxybenzoate
CID 53231025
[2-(4-methoxyanilino)-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7654496

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 3-chloro-5-ethoxy-4-(4-methoxybenzoyl)oxybenzoate?
The IUPAC name of prop-2-enyl 3-chloro-5-ethoxy-4-(4-methoxybenzoyl)oxybenzoate (CID 91680031) is prop-2-enyl 3-chloro-5-ethoxy-4-(4-methoxybenzoyl)oxybenzoate.
What is the SMILES notation for prop-2-enyl 3-chloro-5-ethoxy-4-(4-methoxybenzoyl)oxybenzoate?
The canonical SMILES for prop-2-enyl 3-chloro-5-ethoxy-4-(4-methoxybenzoyl)oxybenzoate is C=CCOC(=O)c1cc(Cl)c(OC(=O)c2ccc(OC)cc2)c(OCC)c1.
What is the InChIKey of prop-2-enyl 3-chloro-5-ethoxy-4-(4-methoxybenzoyl)oxybenzoate?
The InChIKey is WPLZZLGDOKHLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClO6/c1-4-10-26-19(22)14-11-16(21)18(17(12-14)25-5-2)27-20(23)13-6-8-15(24-3)9-7-13/h4,6-9,11-12H,1,5,10H2,2-3H3.
What are the key properties of prop-2-enyl 3-chloro-5-ethoxy-4-(4-methoxybenzoyl)oxybenzoate?
prop-2-enyl 3-chloro-5-ethoxy-4-(4-methoxybenzoyl)oxybenzoate has a molecular weight of 390.82 g/mol, XLogP of 4.31, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 3-chloro-5-ethoxy-4-(4-methoxybenzoyl)oxybenzoate is sourced from PubChem (CID 91680031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).