7-[2-(diethylamino)ethoxy]-5-hydroxy-3-methoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]chromen-4-one

C43H43NO8 — CID 142688417

IUPAC7-[2-(diethylamino)ethoxy]-5-hydroxy-3-methoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]chromen-4-one
SMILESCCN(CC)CCOc1cc(O)c2c(=O)c(OC)c(-c3cc(OCc4ccccc4)c(OCc4ccccc4)c(OCc4ccccc4)c3)oc2c1
InChIInChI=1S/C43H43NO8/c1-4-44(5-2)21-22-48-34-25-35(45)39-36(26-34)52-41(43(47-3)40(39)46)33-23-37(49-27-30-15-9-6-10-16-30)42(51-29-32-19-13-8-14-20-32)38(24-33)50-28-31-17-11-7-12-18-31/h6-20,23-26,45H,4-5,21-22,27-29H2,1-3H3
InChIKeyKBKFNXDDRYZMCE-UHFFFAOYSA-N
MW701.82 g/mol
LogP8.63
Rot. Bonds17

About 7-[2-(diethylamino)ethoxy]-5-hydroxy-3-methoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]chromen-4-one

7-[2-(diethylamino)ethoxy]-5-hydroxy-3-methoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]chromen-4-one (PubChem CID 142688417) has the molecular formula C43H43NO8 and a molecular weight of 701.82 g/mol. Its IUPAC name is 7-[2-(diethylamino)ethoxy]-5-hydroxy-3-methoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]chromen-4-one.

Molecular Properties

Compound Name7-[2-(diethylamino)ethoxy]-5-hydroxy-3-methoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]chromen-4-one
PubChem CID142688417
Molecular FormulaC43H43NO8
Molecular Weight701.82 g/mol
Exact Mass701.30
IUPAC Name7-[2-(diethylamino)ethoxy]-5-hydroxy-3-methoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]chromen-4-one
SMILESCCN(CC)CCOc1cc(O)c2c(=O)c(OC)c(-c3cc(OCc4ccccc4)c(OCc4ccccc4)c(OCc4ccccc4)c3)oc2c1
InChIInChI=1S/C43H43NO8/c1-4-44(5-2)21-22-48-34-25-35(45)39-36(26-34)52-41(43(47-3)40(39)46)33-23-37(49-27-30-15-9-6-10-16-30)42(51-29-32-19-13-8-14-20-32)38(24-33)50-28-31-17-11-7-12-18-31/h6-20,23-26,45H,4-5,21-22,27-29H2,1-3H3
InChIKeyKBKFNXDDRYZMCE-UHFFFAOYSA-N
XLogP8.63
TPSA99.83 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.82
LogP ≤ 58.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-[2-(diethylamino)ethoxy]-5-hydroxy-3-methoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]chromen-4-one with MolForge

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Related Compounds

5-hydroxy-3-methoxy-7-phenylmethoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]chromen-4-one
CID 142688399
2-[3,4-bis(phenylmethoxy)phenyl]-5-[2-(diethylamino)ethoxy]-3-methoxy-7-phenylmethoxychromen-4-one
CID 142688389
2-[3,4-bis(phenylmethoxy)phenyl]-5-hydroxy-3,7-bis(phenylmethoxy)chromen-4-one
CID 11181398
2-[3,4-bis(phenylmethoxy)phenyl]-5-hydroxy-7-phenylmethoxy-3-propoxychromen-4-one
CID 145041816
[2-[3,4-bis(phenylmethoxy)phenyl]-5-hydroxy-4-oxo-7-phenylmethoxychromen-3-yl] methanesulfonate
CID 11607081
5-hydroxy-3,7-dimethoxy-2-phenylchromen-4-one
CID 139068259
2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-bis(phenylmethoxy)chromen-4-one
CID 11443055
2-[3,4-bis(phenylmethoxy)phenyl]-5-hydroxy-3-(2-methylpropoxy)-7-phenylmethoxychromen-4-one
CID 145041831
5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-7-phenylmethoxychromen-4-one
CID 91601169
3,5-dihydroxy-7-phenylmethoxy-2-(4-phenylmethoxyphenyl)chromen-4-one
CID 12775837
5-hydroxy-7-(2-methylbut-3-yn-2-yloxy)-2-phenyl-3-phenylmethoxychromen-4-one
CID 135026810
2-(3,4-dihydroxy-5-methoxyphenyl)-5-hydroxy-3-methoxy-7-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]chromen-4-one
CID 162816986

Frequently Asked Questions

What is the IUPAC name of 7-[2-(diethylamino)ethoxy]-5-hydroxy-3-methoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]chromen-4-one?
The IUPAC name of 7-[2-(diethylamino)ethoxy]-5-hydroxy-3-methoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]chromen-4-one (CID 142688417) is 7-[2-(diethylamino)ethoxy]-5-hydroxy-3-methoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]chromen-4-one.
What is the SMILES notation for 7-[2-(diethylamino)ethoxy]-5-hydroxy-3-methoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]chromen-4-one?
The canonical SMILES for 7-[2-(diethylamino)ethoxy]-5-hydroxy-3-methoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]chromen-4-one is CCN(CC)CCOc1cc(O)c2c(=O)c(OC)c(-c3cc(OCc4ccccc4)c(OCc4ccccc4)c(OCc4ccccc4)c3)oc2c1.
What is the InChIKey of 7-[2-(diethylamino)ethoxy]-5-hydroxy-3-methoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]chromen-4-one?
The InChIKey is KBKFNXDDRYZMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H43NO8/c1-4-44(5-2)21-22-48-34-25-35(45)39-36(26-34)52-41(43(47-3)40(39)46)33-23-37(49-27-30-15-9-6-10-16-30)42(51-29-32-19-13-8-14-20-32)38(24-33)50-28-31-17-11-7-12-18-31/h6-20,23-26,45H,4-5,21-22,27-29H2,1-3H3.
What are the key properties of 7-[2-(diethylamino)ethoxy]-5-hydroxy-3-methoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]chromen-4-one?
7-[2-(diethylamino)ethoxy]-5-hydroxy-3-methoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]chromen-4-one has a molecular weight of 701.82 g/mol, XLogP of 8.63, 17 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(diethylamino)ethoxy]-5-hydroxy-3-methoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]chromen-4-one is sourced from PubChem (CID 142688417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).