(2-ethyl-7-methoxy-4-oxochromen-8-yl)methyl 3,4,5-trimethoxybenzoate

C23H24O8 — CID 162658811

IUPAC(2-ethyl-7-methoxy-4-oxochromen-8-yl)methyl 3,4,5-trimethoxybenzoate
SMILESCCc1cc(=O)c2ccc(OC)c(COC(=O)c3cc(OC)c(OC)c(OC)c3)c2o1
InChIInChI=1S/C23H24O8/c1-6-14-11-17(24)15-7-8-18(26-2)16(21(15)31-14)12-30-23(25)13-9-19(27-3)22(29-5)20(10-13)28-4/h7-11H,6,12H2,1-5H3
InChIKeySDWCUJUFYGYTJO-UHFFFAOYSA-N
MW428.44 g/mol
LogP3.75
Rot. Bonds8

About (2-ethyl-7-methoxy-4-oxochromen-8-yl)methyl 3,4,5-trimethoxybenzoate

(2-ethyl-7-methoxy-4-oxochromen-8-yl)methyl 3,4,5-trimethoxybenzoate (PubChem CID 162658811) has the molecular formula C23H24O8 and a molecular weight of 428.44 g/mol. Its IUPAC name is (2-ethyl-7-methoxy-4-oxochromen-8-yl)methyl 3,4,5-trimethoxybenzoate.

Molecular Properties

Compound Name(2-ethyl-7-methoxy-4-oxochromen-8-yl)methyl 3,4,5-trimethoxybenzoate
PubChem CID162658811
Molecular FormulaC23H24O8
Molecular Weight428.44 g/mol
Exact Mass428.15
IUPAC Name(2-ethyl-7-methoxy-4-oxochromen-8-yl)methyl 3,4,5-trimethoxybenzoate
SMILESCCc1cc(=O)c2ccc(OC)c(COC(=O)c3cc(OC)c(OC)c(OC)c3)c2o1
InChIInChI=1S/C23H24O8/c1-6-14-11-17(24)15-7-8-18(26-2)16(21(15)31-14)12-30-23(25)13-9-19(27-3)22(29-5)20(10-13)28-4/h7-11H,6,12H2,1-5H3
InChIKeySDWCUJUFYGYTJO-UHFFFAOYSA-N
XLogP3.75
TPSA93.43 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(2-ethyl-7-methoxy-4-oxochromen-8-yl)methyl 2-(4-chlorophenyl)acetate
CID 162659877
8-(bromomethyl)-2-ethyl-7-methoxychromen-4-one
CID 56642010
(2,3,4,5,6-pentafluorophenyl)methyl 3,4,5-trimethoxybenzoate
CID 8013600
(5-bromo-2-methoxyphenyl)methyl 3,4,5-trimethoxybenzoate
CID 9201420
(7-methoxy-2-oxochromen-4-yl)methyl 3,4,5-trimethoxybenzoate
CID 3971708
(4-tert-butyl-2,6-dimethylphenyl)methyl 3,4,5-trimethoxybenzoate
CID 2425617
2-(aminomethyl)-7,8-dimethoxychromen-4-one;hydrochloride
CID 82020834
(4-oxo-5-phenylmethoxypyran-2-yl)methyl 3,4,5-trimethoxybenzoate
CID 84559516
(3,4,5-trimethoxyphenyl)methyl 3,4-diethoxybenzoate
CID 9095626
(2-ethyl-7-hydroxy-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 24880187
octyl 3,4,5-trimethoxybenzoate
CID 54343365
octadecyl 3,4,5-trimethoxybenzoate
CID 19820326

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-7-methoxy-4-oxochromen-8-yl)methyl 3,4,5-trimethoxybenzoate?
The IUPAC name of (2-ethyl-7-methoxy-4-oxochromen-8-yl)methyl 3,4,5-trimethoxybenzoate (CID 162658811) is (2-ethyl-7-methoxy-4-oxochromen-8-yl)methyl 3,4,5-trimethoxybenzoate.
What is the SMILES notation for (2-ethyl-7-methoxy-4-oxochromen-8-yl)methyl 3,4,5-trimethoxybenzoate?
The canonical SMILES for (2-ethyl-7-methoxy-4-oxochromen-8-yl)methyl 3,4,5-trimethoxybenzoate is CCc1cc(=O)c2ccc(OC)c(COC(=O)c3cc(OC)c(OC)c(OC)c3)c2o1.
What is the InChIKey of (2-ethyl-7-methoxy-4-oxochromen-8-yl)methyl 3,4,5-trimethoxybenzoate?
The InChIKey is SDWCUJUFYGYTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O8/c1-6-14-11-17(24)15-7-8-18(26-2)16(21(15)31-14)12-30-23(25)13-9-19(27-3)22(29-5)20(10-13)28-4/h7-11H,6,12H2,1-5H3.
What are the key properties of (2-ethyl-7-methoxy-4-oxochromen-8-yl)methyl 3,4,5-trimethoxybenzoate?
(2-ethyl-7-methoxy-4-oxochromen-8-yl)methyl 3,4,5-trimethoxybenzoate has a molecular weight of 428.44 g/mol, XLogP of 3.75, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-7-methoxy-4-oxochromen-8-yl)methyl 3,4,5-trimethoxybenzoate is sourced from PubChem (CID 162658811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).