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

C44H36O8 — CID 142688399

IUPAC5-hydroxy-3-methoxy-7-phenylmethoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]chromen-4-one
SMILESCOc1c(-c2cc(OCc3ccccc3)c(OCc3ccccc3)c(OCc3ccccc3)c2)oc2cc(OCc3ccccc3)cc(O)c2c1=O
InChIInChI=1S/C44H36O8/c1-47-44-41(46)40-36(45)24-35(48-26-30-14-6-2-7-15-30)25-37(40)52-42(44)34-22-38(49-27-31-16-8-3-9-17-31)43(51-29-33-20-12-5-13-21-33)39(23-34)50-28-32-18-10-4-11-19-32/h2-25,45H,26-29H2,1H3
InChIKeyPLAZRLZRHQEOBS-UHFFFAOYSA-N
MW692.76 g/mol
LogP9.49
Rot. Bonds14

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

5-hydroxy-3-methoxy-7-phenylmethoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]chromen-4-one (PubChem CID 142688399) has the molecular formula C44H36O8 and a molecular weight of 692.76 g/mol. Its IUPAC name is 5-hydroxy-3-methoxy-7-phenylmethoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]chromen-4-one.

Molecular Properties

Compound Name5-hydroxy-3-methoxy-7-phenylmethoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]chromen-4-one
PubChem CID142688399
Molecular FormulaC44H36O8
Molecular Weight692.76 g/mol
Exact Mass692.24
IUPAC Name5-hydroxy-3-methoxy-7-phenylmethoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]chromen-4-one
SMILESCOc1c(-c2cc(OCc3ccccc3)c(OCc3ccccc3)c(OCc3ccccc3)c2)oc2cc(OCc3ccccc3)cc(O)c2c1=O
InChIInChI=1S/C44H36O8/c1-47-44-41(46)40-36(45)24-35(48-26-30-14-6-2-7-15-30)25-37(40)52-42(44)34-22-38(49-27-31-16-8-3-9-17-31)43(51-29-33-20-12-5-13-21-33)39(23-34)50-28-32-18-10-4-11-19-32/h2-25,45H,26-29H2,1H3
InChIKeyPLAZRLZRHQEOBS-UHFFFAOYSA-N
XLogP9.49
TPSA96.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.76
LogP ≤ 59.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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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]-5-hydroxy-3,7-bis(phenylmethoxy)chromen-4-one
CID 11181398
[2-[3,4-bis(phenylmethoxy)phenyl]-5-hydroxy-4-oxo-7-phenylmethoxychromen-3-yl] methanesulfonate
CID 11607081
2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-bis(phenylmethoxy)chromen-4-one
CID 11443055
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-(2-methylpropoxy)-7-phenylmethoxychromen-4-one
CID 145041831
5-hydroxy-3,7-dimethoxy-2-phenylchromen-4-one
CID 139068259
3,5-dihydroxy-7-phenylmethoxy-2-(4-phenylmethoxyphenyl)chromen-4-one
CID 12775837
5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-7-phenylmethoxychromen-4-one
CID 91601169
2-[3,4-bis(phenylmethoxy)phenyl]-5-[2-(diethylamino)ethoxy]-3-methoxy-7-phenylmethoxychromen-4-one
CID 142688389
5-hydroxy-7-(2-methylbut-3-yn-2-yloxy)-2-phenyl-3-phenylmethoxychromen-4-one
CID 135026810
2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one;methoxymethane
CID 68984342

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-methoxy-7-phenylmethoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]chromen-4-one?
The IUPAC name of 5-hydroxy-3-methoxy-7-phenylmethoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]chromen-4-one (CID 142688399) is 5-hydroxy-3-methoxy-7-phenylmethoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]chromen-4-one.
What is the SMILES notation for 5-hydroxy-3-methoxy-7-phenylmethoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]chromen-4-one?
The canonical SMILES for 5-hydroxy-3-methoxy-7-phenylmethoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]chromen-4-one is COc1c(-c2cc(OCc3ccccc3)c(OCc3ccccc3)c(OCc3ccccc3)c2)oc2cc(OCc3ccccc3)cc(O)c2c1=O.
What is the InChIKey of 5-hydroxy-3-methoxy-7-phenylmethoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]chromen-4-one?
The InChIKey is PLAZRLZRHQEOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H36O8/c1-47-44-41(46)40-36(45)24-35(48-26-30-14-6-2-7-15-30)25-37(40)52-42(44)34-22-38(49-27-31-16-8-3-9-17-31)43(51-29-33-20-12-5-13-21-33)39(23-34)50-28-32-18-10-4-11-19-32/h2-25,45H,26-29H2,1H3.
What are the key properties of 5-hydroxy-3-methoxy-7-phenylmethoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]chromen-4-one?
5-hydroxy-3-methoxy-7-phenylmethoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]chromen-4-one has a molecular weight of 692.76 g/mol, XLogP of 9.49, 14 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-methoxy-7-phenylmethoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]chromen-4-one is sourced from PubChem (CID 142688399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).