2-[3,4-bis(phenylmethoxy)phenyl]-5-[2-(diethylamino)ethoxy]-3-methoxy-7-phenylmethoxychromen-4-one

C43H43NO7 — CID 142688389

IUPAC2-[3,4-bis(phenylmethoxy)phenyl]-5-[2-(diethylamino)ethoxy]-3-methoxy-7-phenylmethoxychromen-4-one
SMILESCCN(CC)CCOc1cc(OCc2ccccc2)cc2oc(-c3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)c(OC)c(=O)c12
InChIInChI=1S/C43H43NO7/c1-4-44(5-2)23-24-47-38-26-35(48-28-31-15-9-6-10-16-31)27-39-40(38)41(45)43(46-3)42(51-39)34-21-22-36(49-29-32-17-11-7-12-18-32)37(25-34)50-30-33-19-13-8-14-20-33/h6-22,25-27H,4-5,23-24,28-30H2,1-3H3
InChIKeyKQRVOHWKWOWGLI-UHFFFAOYSA-N
MW685.82 g/mol
LogP8.93
Rot. Bonds17

About 2-[3,4-bis(phenylmethoxy)phenyl]-5-[2-(diethylamino)ethoxy]-3-methoxy-7-phenylmethoxychromen-4-one

2-[3,4-bis(phenylmethoxy)phenyl]-5-[2-(diethylamino)ethoxy]-3-methoxy-7-phenylmethoxychromen-4-one (PubChem CID 142688389) has the molecular formula C43H43NO7 and a molecular weight of 685.82 g/mol. Its IUPAC name is 2-[3,4-bis(phenylmethoxy)phenyl]-5-[2-(diethylamino)ethoxy]-3-methoxy-7-phenylmethoxychromen-4-one.

Molecular Properties

Compound Name2-[3,4-bis(phenylmethoxy)phenyl]-5-[2-(diethylamino)ethoxy]-3-methoxy-7-phenylmethoxychromen-4-one
PubChem CID142688389
Molecular FormulaC43H43NO7
Molecular Weight685.82 g/mol
Exact Mass685.30
IUPAC Name2-[3,4-bis(phenylmethoxy)phenyl]-5-[2-(diethylamino)ethoxy]-3-methoxy-7-phenylmethoxychromen-4-one
SMILESCCN(CC)CCOc1cc(OCc2ccccc2)cc2oc(-c3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)c(OC)c(=O)c12
InChIInChI=1S/C43H43NO7/c1-4-44(5-2)23-24-47-38-26-35(48-28-31-15-9-6-10-16-31)27-39-40(38)41(45)43(46-3)42(51-39)34-21-22-36(49-29-32-17-11-7-12-18-32)37(25-34)50-30-33-19-13-8-14-20-33/h6-22,25-27H,4-5,23-24,28-30H2,1-3H3
InChIKeyKQRVOHWKWOWGLI-UHFFFAOYSA-N
XLogP8.93
TPSA79.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.82
LogP ≤ 58.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

7-[2-(diethylamino)ethoxy]-5-hydroxy-3-methoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]chromen-4-one
CID 142688417
2-[3,4-bis(phenylmethoxy)phenyl]-3-methoxy-5-(2-morpholin-4-ylethoxy)-7-phenylmethoxychromen-4-one
CID 142688378
2-[3,4-bis(phenylmethoxy)phenyl]-5-hydroxy-7-phenylmethoxy-3-propoxychromen-4-one
CID 145041816
2-[3,4-bis(phenylmethoxy)phenyl]-5-hydroxy-3,7-bis(phenylmethoxy)chromen-4-one
CID 11181398
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-hydroxy-4-oxo-7-phenylmethoxychromen-3-yl] methanesulfonate
CID 11607081
2-[3,4-bis(phenylmethoxy)phenyl]-5-hydroxy-3-(2-methylpropoxy)-7-phenylmethoxychromen-4-one
CID 145041831
2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-(2-phenylethoxy)chromen-4-one
CID 59838501
[2-[3,4-bis(phenylmethoxy)phenyl]-5-hydroxy-4-oxo-7-phenylmethoxychromen-3-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 42632023
2-[3,4-bis(2-hydroxyethoxy)phenyl]-3-hydroxy-5,7-bis(2-hydroxyethoxy)chromen-4-one
CID 171380544
2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-bis(phenylmethoxy)chromen-4-one
CID 11443055
2-(3,4-dimethoxyphenyl)-3-ethoxy-5,7-dimethoxychromen-4-one
CID 97032110

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-bis(phenylmethoxy)phenyl]-5-[2-(diethylamino)ethoxy]-3-methoxy-7-phenylmethoxychromen-4-one?
The IUPAC name of 2-[3,4-bis(phenylmethoxy)phenyl]-5-[2-(diethylamino)ethoxy]-3-methoxy-7-phenylmethoxychromen-4-one (CID 142688389) is 2-[3,4-bis(phenylmethoxy)phenyl]-5-[2-(diethylamino)ethoxy]-3-methoxy-7-phenylmethoxychromen-4-one.
What is the SMILES notation for 2-[3,4-bis(phenylmethoxy)phenyl]-5-[2-(diethylamino)ethoxy]-3-methoxy-7-phenylmethoxychromen-4-one?
The canonical SMILES for 2-[3,4-bis(phenylmethoxy)phenyl]-5-[2-(diethylamino)ethoxy]-3-methoxy-7-phenylmethoxychromen-4-one is CCN(CC)CCOc1cc(OCc2ccccc2)cc2oc(-c3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)c(OC)c(=O)c12.
What is the InChIKey of 2-[3,4-bis(phenylmethoxy)phenyl]-5-[2-(diethylamino)ethoxy]-3-methoxy-7-phenylmethoxychromen-4-one?
The InChIKey is KQRVOHWKWOWGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H43NO7/c1-4-44(5-2)23-24-47-38-26-35(48-28-31-15-9-6-10-16-31)27-39-40(38)41(45)43(46-3)42(51-39)34-21-22-36(49-29-32-17-11-7-12-18-32)37(25-34)50-30-33-19-13-8-14-20-33/h6-22,25-27H,4-5,23-24,28-30H2,1-3H3.
What are the key properties of 2-[3,4-bis(phenylmethoxy)phenyl]-5-[2-(diethylamino)ethoxy]-3-methoxy-7-phenylmethoxychromen-4-one?
2-[3,4-bis(phenylmethoxy)phenyl]-5-[2-(diethylamino)ethoxy]-3-methoxy-7-phenylmethoxychromen-4-one has a molecular weight of 685.82 g/mol, XLogP of 8.93, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-bis(phenylmethoxy)phenyl]-5-[2-(diethylamino)ethoxy]-3-methoxy-7-phenylmethoxychromen-4-one is sourced from PubChem (CID 142688389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).