(6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-ethoxy-3-methoxybenzoate

C19H19ClO6 — CID 7811507

IUPAC(6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-ethoxy-3-methoxybenzoate
SMILESCCOc1ccc(C(=O)OCc2cc(Cl)cc3c2OCOC3)cc1OC
InChIInChI=1S/C19H19ClO6/c1-3-24-16-5-4-12(8-17(16)22-2)19(21)25-10-14-7-15(20)6-13-9-23-11-26-18(13)14/h4-8H,3,9-11H2,1-2H3
InChIKeyOIUKMGHCJHEFKE-UHFFFAOYSA-N
MW378.81 g/mol
LogP3.97
Rot. Bonds6

About (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-ethoxy-3-methoxybenzoate

(6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-ethoxy-3-methoxybenzoate (PubChem CID 7811507) has the molecular formula C19H19ClO6 and a molecular weight of 378.81 g/mol. Its IUPAC name is (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-ethoxy-3-methoxybenzoate.

Molecular Properties

Compound Name(6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-ethoxy-3-methoxybenzoate
PubChem CID7811507
Molecular FormulaC19H19ClO6
Molecular Weight378.81 g/mol
Exact Mass378.09
IUPAC Name(6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-ethoxy-3-methoxybenzoate
SMILESCCOc1ccc(C(=O)OCc2cc(Cl)cc3c2OCOC3)cc1OC
InChIInChI=1S/C19H19ClO6/c1-3-24-16-5-4-12(8-17(16)22-2)19(21)25-10-14-7-15(20)6-13-9-23-11-26-18(13)14/h4-8H,3,9-11H2,1-2H3
InChIKeyOIUKMGHCJHEFKE-UHFFFAOYSA-N
XLogP3.97
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.81
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,2-Dimethyl-2H-chromene-6-carboxylic acid 3,4,5-trimethoxy-benzyl ester
CID 10110559
6-Chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)chromen-4-one
CID 683499
(7-Ethoxy-4-methyl-2-oxochromen-8-yl)methyl 3,4-dimethoxybenzoate
CID 155527443
(E)-3-(6-chloro-2H-chromen-3-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 46192580
[8,8-Dimethyl-9-(3-methylbutanoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 3-chlorobenzoate
CID 455813
[8,8-Dimethyl-9-(oxan-2-yloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 3-chlorobenzoate
CID 455816
(5-Acetyl-2-methoxyphenyl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 2534630
Methyl 3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxybenzoate
CID 57398316
6-chloro-3-(3,4-dimethoxyphenyl)-4-methyl-2H-chromen-2-one
CID 688775
6-Chloro-3',4'-dimethoxyflavanone
CID 4282475
(9-Methoxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl) 3-chlorobenzoate
CID 455814
(9-Acetoxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl) 3-chlorobenzoate
CID 455903

Frequently Asked Questions

What is the IUPAC name of (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-ethoxy-3-methoxybenzoate?
The IUPAC name of (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-ethoxy-3-methoxybenzoate (CID 7811507) is (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-ethoxy-3-methoxybenzoate.
What is the SMILES notation for (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-ethoxy-3-methoxybenzoate?
The canonical SMILES for (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-ethoxy-3-methoxybenzoate is CCOc1ccc(C(=O)OCc2cc(Cl)cc3c2OCOC3)cc1OC.
What is the InChIKey of (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-ethoxy-3-methoxybenzoate?
The InChIKey is OIUKMGHCJHEFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClO6/c1-3-24-16-5-4-12(8-17(16)22-2)19(21)25-10-14-7-15(20)6-13-9-23-11-26-18(13)14/h4-8H,3,9-11H2,1-2H3.
What are the key properties of (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-ethoxy-3-methoxybenzoate?
(6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-ethoxy-3-methoxybenzoate has a molecular weight of 378.81 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-ethoxy-3-methoxybenzoate is sourced from PubChem (CID 7811507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).