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

C43H41NO8 — CID 142688378

IUPAC2-[3,4-bis(phenylmethoxy)phenyl]-3-methoxy-5-(2-morpholin-4-ylethoxy)-7-phenylmethoxychromen-4-one
SMILESCOc1c(-c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)oc2cc(OCc3ccccc3)cc(OCCN3CCOCC3)c2c1=O
InChIInChI=1S/C43H41NO8/c1-46-43-41(45)40-38(48-24-21-44-19-22-47-23-20-44)26-35(49-28-31-11-5-2-6-12-31)27-39(40)52-42(43)34-17-18-36(50-29-32-13-7-3-8-14-32)37(25-34)51-30-33-15-9-4-10-16-33/h2-18,25-27H,19-24,28-30H2,1H3
InChIKeySJQQALKRICJDHJ-UHFFFAOYSA-N
MW699.80 g/mol
LogP7.92
Rot. Bonds15

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

2-[3,4-bis(phenylmethoxy)phenyl]-3-methoxy-5-(2-morpholin-4-ylethoxy)-7-phenylmethoxychromen-4-one (PubChem CID 142688378) has the molecular formula C43H41NO8 and a molecular weight of 699.80 g/mol. Its IUPAC name is 2-[3,4-bis(phenylmethoxy)phenyl]-3-methoxy-5-(2-morpholin-4-ylethoxy)-7-phenylmethoxychromen-4-one.

Molecular Properties

Compound Name2-[3,4-bis(phenylmethoxy)phenyl]-3-methoxy-5-(2-morpholin-4-ylethoxy)-7-phenylmethoxychromen-4-one
PubChem CID142688378
Molecular FormulaC43H41NO8
Molecular Weight699.80 g/mol
Exact Mass699.28
IUPAC Name2-[3,4-bis(phenylmethoxy)phenyl]-3-methoxy-5-(2-morpholin-4-ylethoxy)-7-phenylmethoxychromen-4-one
SMILESCOc1c(-c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)oc2cc(OCc3ccccc3)cc(OCCN3CCOCC3)c2c1=O
InChIInChI=1S/C43H41NO8/c1-46-43-41(45)40-38(48-24-21-44-19-22-47-23-20-44)26-35(49-28-31-11-5-2-6-12-31)27-39(40)52-42(43)34-17-18-36(50-29-32-13-7-3-8-14-32)37(25-34)51-30-33-15-9-4-10-16-33/h2-18,25-27H,19-24,28-30H2,1H3
InChIKeySJQQALKRICJDHJ-UHFFFAOYSA-N
XLogP7.92
TPSA88.83 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.80
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-[3,4-bis(phenylmethoxy)phenyl]-5-[2-(diethylamino)ethoxy]-3-methoxy-7-phenylmethoxychromen-4-one
CID 142688389
4-[2-[2,4-bis(phenylmethoxy)phenoxy]ethyl]morpholine
CID 130178723
5-hydroxy-3-methoxy-7-(2-morpholin-4-ylethoxy)-2-(3,4,5-trihydroxyphenyl)chromen-4-one;hydrochloride
CID 122182136
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
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-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]-4-phenylmethoxyphenyl]-5-hydroxy-3,7-bis(phenylmethoxy)chromen-4-one
CID 67984200
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]-5-hydroxy-4-oxo-7-phenylmethoxychromen-3-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 42632023

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-bis(phenylmethoxy)phenyl]-3-methoxy-5-(2-morpholin-4-ylethoxy)-7-phenylmethoxychromen-4-one?
The IUPAC name of 2-[3,4-bis(phenylmethoxy)phenyl]-3-methoxy-5-(2-morpholin-4-ylethoxy)-7-phenylmethoxychromen-4-one (CID 142688378) is 2-[3,4-bis(phenylmethoxy)phenyl]-3-methoxy-5-(2-morpholin-4-ylethoxy)-7-phenylmethoxychromen-4-one.
What is the SMILES notation for 2-[3,4-bis(phenylmethoxy)phenyl]-3-methoxy-5-(2-morpholin-4-ylethoxy)-7-phenylmethoxychromen-4-one?
The canonical SMILES for 2-[3,4-bis(phenylmethoxy)phenyl]-3-methoxy-5-(2-morpholin-4-ylethoxy)-7-phenylmethoxychromen-4-one is COc1c(-c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)oc2cc(OCc3ccccc3)cc(OCCN3CCOCC3)c2c1=O.
What is the InChIKey of 2-[3,4-bis(phenylmethoxy)phenyl]-3-methoxy-5-(2-morpholin-4-ylethoxy)-7-phenylmethoxychromen-4-one?
The InChIKey is SJQQALKRICJDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H41NO8/c1-46-43-41(45)40-38(48-24-21-44-19-22-47-23-20-44)26-35(49-28-31-11-5-2-6-12-31)27-39(40)52-42(43)34-17-18-36(50-29-32-13-7-3-8-14-32)37(25-34)51-30-33-15-9-4-10-16-33/h2-18,25-27H,19-24,28-30H2,1H3.
What are the key properties of 2-[3,4-bis(phenylmethoxy)phenyl]-3-methoxy-5-(2-morpholin-4-ylethoxy)-7-phenylmethoxychromen-4-one?
2-[3,4-bis(phenylmethoxy)phenyl]-3-methoxy-5-(2-morpholin-4-ylethoxy)-7-phenylmethoxychromen-4-one has a molecular weight of 699.80 g/mol, XLogP of 7.92, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-bis(phenylmethoxy)phenyl]-3-methoxy-5-(2-morpholin-4-ylethoxy)-7-phenylmethoxychromen-4-one is sourced from PubChem (CID 142688378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).