5,7-bis(phenylmethoxy)-2-(4-phenylmethoxyphenyl)chromen-4-one

C36H28O5 — CID 11180247

IUPAC5,7-bis(phenylmethoxy)-2-(4-phenylmethoxyphenyl)chromen-4-one
SMILESO=c1cc(-c2ccc(OCc3ccccc3)cc2)oc2cc(OCc3ccccc3)cc(OCc3ccccc3)c12
InChIInChI=1S/C36H28O5/c37-32-22-33(29-16-18-30(19-17-29)38-23-26-10-4-1-5-11-26)41-35-21-31(39-24-27-12-6-2-7-13-27)20-34(36(32)35)40-25-28-14-8-3-9-15-28/h1-22H,23-25H2
InChIKeyQEKMTUHCVIGYAC-UHFFFAOYSA-N
MW540.62 g/mol
LogP8.20
Rot. Bonds10

About 5,7-bis(phenylmethoxy)-2-(4-phenylmethoxyphenyl)chromen-4-one

5,7-bis(phenylmethoxy)-2-(4-phenylmethoxyphenyl)chromen-4-one (PubChem CID 11180247) has the molecular formula C36H28O5 and a molecular weight of 540.62 g/mol. Its IUPAC name is 5,7-bis(phenylmethoxy)-2-(4-phenylmethoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name5,7-bis(phenylmethoxy)-2-(4-phenylmethoxyphenyl)chromen-4-one
PubChem CID11180247
Molecular FormulaC36H28O5
Molecular Weight540.62 g/mol
Exact Mass540.19
IUPAC Name5,7-bis(phenylmethoxy)-2-(4-phenylmethoxyphenyl)chromen-4-one
SMILESO=c1cc(-c2ccc(OCc3ccccc3)cc2)oc2cc(OCc3ccccc3)cc(OCc3ccccc3)c12
InChIInChI=1S/C36H28O5/c37-32-22-33(29-16-18-30(19-17-29)38-23-26-10-4-1-5-11-26)41-35-21-31(39-24-27-12-6-2-7-13-27)20-34(36(32)35)40-25-28-14-8-3-9-15-28/h1-22H,23-25H2
InChIKeyQEKMTUHCVIGYAC-UHFFFAOYSA-N
XLogP8.20
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.62
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-7-methoxy-5-phenylmethoxychromen-4-one
CID 141293952
5-(3-methylbut-2-enoxy)-2-phenyl-7-phenylmethoxychromen-4-one
CID 169002909
5,6-dihydroxy-2-phenyl-7-phenylmethoxychromen-4-one
CID 15108702
5,7-diethoxy-2-(4-ethoxyphenyl)chromen-4-one
CID 174788047
7,8-dimethoxy-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)chromen-4-one
CID 178187643
6-hydroxy-2-phenyl-5,7-bis(phenylmethoxy)chromen-4-one
CID 171061853
O-[4-(5,6-dimethoxy-4-oxo-7-phenylmethoxychromen-2-yl)phenyl] methanethioate
CID 19358648
7-[(4-bromophenyl)methoxy]-5-hydroxy-2-phenylchromen-4-one
CID 6029612
3,5-dihydroxy-7-phenylmethoxy-2-(4-phenylmethoxyphenyl)chromen-4-one
CID 12775837
5,7-bis(2-ethoxyethoxy)-2-phenylchromen-4-one
CID 141482087
2-phenyl-5,6-bis(phenylmethoxy)-7-prop-2-enoxychromen-4-one
CID 56649004
5-hydroxy-2-phenyl-6,7-bis(phenylmethoxy)chromen-4-one;2-phenylchromen-4-one
CID 66878364

Frequently Asked Questions

What is the IUPAC name of 5,7-bis(phenylmethoxy)-2-(4-phenylmethoxyphenyl)chromen-4-one?
The IUPAC name of 5,7-bis(phenylmethoxy)-2-(4-phenylmethoxyphenyl)chromen-4-one (CID 11180247) is 5,7-bis(phenylmethoxy)-2-(4-phenylmethoxyphenyl)chromen-4-one.
What is the SMILES notation for 5,7-bis(phenylmethoxy)-2-(4-phenylmethoxyphenyl)chromen-4-one?
The canonical SMILES for 5,7-bis(phenylmethoxy)-2-(4-phenylmethoxyphenyl)chromen-4-one is O=c1cc(-c2ccc(OCc3ccccc3)cc2)oc2cc(OCc3ccccc3)cc(OCc3ccccc3)c12.
What is the InChIKey of 5,7-bis(phenylmethoxy)-2-(4-phenylmethoxyphenyl)chromen-4-one?
The InChIKey is QEKMTUHCVIGYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28O5/c37-32-22-33(29-16-18-30(19-17-29)38-23-26-10-4-1-5-11-26)41-35-21-31(39-24-27-12-6-2-7-13-27)20-34(36(32)35)40-25-28-14-8-3-9-15-28/h1-22H,23-25H2.
What are the key properties of 5,7-bis(phenylmethoxy)-2-(4-phenylmethoxyphenyl)chromen-4-one?
5,7-bis(phenylmethoxy)-2-(4-phenylmethoxyphenyl)chromen-4-one has a molecular weight of 540.62 g/mol, XLogP of 8.20, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(phenylmethoxy)-2-(4-phenylmethoxyphenyl)chromen-4-one is sourced from PubChem (CID 11180247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).