2-[3,4-bis(phenylmethoxy)phenyl]-5-hydroxy-3-(2-methylpropoxy)-7-phenylmethoxychromen-4-one

C40H36O7 — CID 145041831

IUPAC2-[3,4-bis(phenylmethoxy)phenyl]-5-hydroxy-3-(2-methylpropoxy)-7-phenylmethoxychromen-4-one
SMILESCC(C)COc1c(-c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)oc2cc(OCc3ccccc3)cc(O)c2c1=O
InChIInChI=1S/C40H36O7/c1-27(2)23-46-40-38(42)37-33(41)21-32(43-24-28-12-6-3-7-13-28)22-36(37)47-39(40)31-18-19-34(44-25-29-14-8-4-9-15-29)35(20-31)45-26-30-16-10-5-11-17-30/h3-22,27,41H,23-26H2,1-2H3
InChIKeyUIZMKOVMOHEHDC-UHFFFAOYSA-N
MW628.72 g/mol
LogP8.94
Rot. Bonds13

About 2-[3,4-bis(phenylmethoxy)phenyl]-5-hydroxy-3-(2-methylpropoxy)-7-phenylmethoxychromen-4-one

2-[3,4-bis(phenylmethoxy)phenyl]-5-hydroxy-3-(2-methylpropoxy)-7-phenylmethoxychromen-4-one (PubChem CID 145041831) has the molecular formula C40H36O7 and a molecular weight of 628.72 g/mol. Its IUPAC name is 2-[3,4-bis(phenylmethoxy)phenyl]-5-hydroxy-3-(2-methylpropoxy)-7-phenylmethoxychromen-4-one.

Molecular Properties

Compound Name2-[3,4-bis(phenylmethoxy)phenyl]-5-hydroxy-3-(2-methylpropoxy)-7-phenylmethoxychromen-4-one
PubChem CID145041831
Molecular FormulaC40H36O7
Molecular Weight628.72 g/mol
Exact Mass628.25
IUPAC Name2-[3,4-bis(phenylmethoxy)phenyl]-5-hydroxy-3-(2-methylpropoxy)-7-phenylmethoxychromen-4-one
SMILESCC(C)COc1c(-c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)oc2cc(OCc3ccccc3)cc(O)c2c1=O
InChIInChI=1S/C40H36O7/c1-27(2)23-46-40-38(42)37-33(41)21-32(43-24-28-12-6-3-7-13-28)22-36(37)47-39(40)31-18-19-34(44-25-29-14-8-4-9-15-29)35(20-31)45-26-30-16-10-5-11-17-30/h3-22,27,41H,23-26H2,1-2H3
InChIKeyUIZMKOVMOHEHDC-UHFFFAOYSA-N
XLogP8.94
TPSA87.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.72
LogP ≤ 58.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-bis(phenylmethoxy)chromen-4-one
CID 11443055
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
[2-[3,4-bis(phenylmethoxy)phenyl]-5-hydroxy-4-oxo-7-phenylmethoxychromen-3-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 42632023
5-hydroxy-3-methoxy-7-phenylmethoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]chromen-4-one
CID 142688399
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-hydroxy-4-oxo-7-phenylmethoxychromen-3-yl] (2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 42632252
2-[3,4-bis(phenylmethoxy)phenyl]-5-[2-(diethylamino)ethoxy]-3-methoxy-7-phenylmethoxychromen-4-one
CID 142688389
7-[2-(diethylamino)ethoxy]-5-hydroxy-3-methoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]chromen-4-one
CID 142688417

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-bis(phenylmethoxy)phenyl]-5-hydroxy-3-(2-methylpropoxy)-7-phenylmethoxychromen-4-one?
The IUPAC name of 2-[3,4-bis(phenylmethoxy)phenyl]-5-hydroxy-3-(2-methylpropoxy)-7-phenylmethoxychromen-4-one (CID 145041831) is 2-[3,4-bis(phenylmethoxy)phenyl]-5-hydroxy-3-(2-methylpropoxy)-7-phenylmethoxychromen-4-one.
What is the SMILES notation for 2-[3,4-bis(phenylmethoxy)phenyl]-5-hydroxy-3-(2-methylpropoxy)-7-phenylmethoxychromen-4-one?
The canonical SMILES for 2-[3,4-bis(phenylmethoxy)phenyl]-5-hydroxy-3-(2-methylpropoxy)-7-phenylmethoxychromen-4-one is CC(C)COc1c(-c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)oc2cc(OCc3ccccc3)cc(O)c2c1=O.
What is the InChIKey of 2-[3,4-bis(phenylmethoxy)phenyl]-5-hydroxy-3-(2-methylpropoxy)-7-phenylmethoxychromen-4-one?
The InChIKey is UIZMKOVMOHEHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36O7/c1-27(2)23-46-40-38(42)37-33(41)21-32(43-24-28-12-6-3-7-13-28)22-36(37)47-39(40)31-18-19-34(44-25-29-14-8-4-9-15-29)35(20-31)45-26-30-16-10-5-11-17-30/h3-22,27,41H,23-26H2,1-2H3.
What are the key properties of 2-[3,4-bis(phenylmethoxy)phenyl]-5-hydroxy-3-(2-methylpropoxy)-7-phenylmethoxychromen-4-one?
2-[3,4-bis(phenylmethoxy)phenyl]-5-hydroxy-3-(2-methylpropoxy)-7-phenylmethoxychromen-4-one has a molecular weight of 628.72 g/mol, XLogP of 8.94, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-bis(phenylmethoxy)phenyl]-5-hydroxy-3-(2-methylpropoxy)-7-phenylmethoxychromen-4-one is sourced from PubChem (CID 145041831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).