5-[2-(diethylamino)ethoxy]-3-hydroxy-7,8-dimethoxy-2-(4-methoxyphenyl)chromen-4-one

C24H29NO7 — CID 134157340

IUPAC5-[2-(diethylamino)ethoxy]-3-hydroxy-7,8-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
SMILESCCN(CC)CCOc1cc(OC)c(OC)c2oc(-c3ccc(OC)cc3)c(O)c(=O)c12
InChIInChI=1S/C24H29NO7/c1-6-25(7-2)12-13-31-17-14-18(29-4)23(30-5)24-19(17)20(26)21(27)22(32-24)15-8-10-16(28-3)11-9-15/h8-11,14,27H,6-7,12-13H2,1-5H3
InChIKeyVHUBHOYUAYWWRJ-UHFFFAOYSA-N
MW443.50 g/mol
LogP3.91
Rot. Bonds10

About 5-[2-(diethylamino)ethoxy]-3-hydroxy-7,8-dimethoxy-2-(4-methoxyphenyl)chromen-4-one

5-[2-(diethylamino)ethoxy]-3-hydroxy-7,8-dimethoxy-2-(4-methoxyphenyl)chromen-4-one (PubChem CID 134157340) has the molecular formula C24H29NO7 and a molecular weight of 443.50 g/mol. Its IUPAC name is 5-[2-(diethylamino)ethoxy]-3-hydroxy-7,8-dimethoxy-2-(4-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name5-[2-(diethylamino)ethoxy]-3-hydroxy-7,8-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
PubChem CID134157340
Molecular FormulaC24H29NO7
Molecular Weight443.50 g/mol
Exact Mass443.19
IUPAC Name5-[2-(diethylamino)ethoxy]-3-hydroxy-7,8-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
SMILESCCN(CC)CCOc1cc(OC)c(OC)c2oc(-c3ccc(OC)cc3)c(O)c(=O)c12
InChIInChI=1S/C24H29NO7/c1-6-25(7-2)12-13-31-17-14-18(29-4)23(30-5)24-19(17)20(26)21(27)22(32-24)15-8-10-16(28-3)11-9-15/h8-11,14,27H,6-7,12-13H2,1-5H3
InChIKeyVHUBHOYUAYWWRJ-UHFFFAOYSA-N
XLogP3.91
TPSA90.60 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(diethylamino)ethoxy]-3-hydroxy-7,8-dimethoxy-2-(4-methoxyphenyl)chromen-4-one?
The IUPAC name of 5-[2-(diethylamino)ethoxy]-3-hydroxy-7,8-dimethoxy-2-(4-methoxyphenyl)chromen-4-one (CID 134157340) is 5-[2-(diethylamino)ethoxy]-3-hydroxy-7,8-dimethoxy-2-(4-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 5-[2-(diethylamino)ethoxy]-3-hydroxy-7,8-dimethoxy-2-(4-methoxyphenyl)chromen-4-one?
The canonical SMILES for 5-[2-(diethylamino)ethoxy]-3-hydroxy-7,8-dimethoxy-2-(4-methoxyphenyl)chromen-4-one is CCN(CC)CCOc1cc(OC)c(OC)c2oc(-c3ccc(OC)cc3)c(O)c(=O)c12.
What is the InChIKey of 5-[2-(diethylamino)ethoxy]-3-hydroxy-7,8-dimethoxy-2-(4-methoxyphenyl)chromen-4-one?
The InChIKey is VHUBHOYUAYWWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO7/c1-6-25(7-2)12-13-31-17-14-18(29-4)23(30-5)24-19(17)20(26)21(27)22(32-24)15-8-10-16(28-3)11-9-15/h8-11,14,27H,6-7,12-13H2,1-5H3.
What are the key properties of 5-[2-(diethylamino)ethoxy]-3-hydroxy-7,8-dimethoxy-2-(4-methoxyphenyl)chromen-4-one?
5-[2-(diethylamino)ethoxy]-3-hydroxy-7,8-dimethoxy-2-(4-methoxyphenyl)chromen-4-one has a molecular weight of 443.50 g/mol, XLogP of 3.91, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(diethylamino)ethoxy]-3-hydroxy-7,8-dimethoxy-2-(4-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 134157340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).