2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-bis(phenylmethoxy)chromen-4-one

C29H22O7 — CID 11443055

IUPAC2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-bis(phenylmethoxy)chromen-4-one
SMILESO=c1c(OCc2ccccc2)c(-c2ccc(O)c(O)c2)oc2cc(OCc3ccccc3)cc(O)c12
InChIInChI=1S/C29H22O7/c30-22-12-11-20(13-23(22)31)28-29(35-17-19-9-5-2-6-10-19)27(33)26-24(32)14-21(15-25(26)36-28)34-16-18-7-3-1-4-8-18/h1-15,30-32H,16-17H2
InChIKeySUWZRJNANIQBFX-UHFFFAOYSA-N
MW482.49 g/mol
LogP5.73
Rot. Bonds7

About 2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-bis(phenylmethoxy)chromen-4-one

2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-bis(phenylmethoxy)chromen-4-one (PubChem CID 11443055) has the molecular formula C29H22O7 and a molecular weight of 482.49 g/mol. Its IUPAC name is 2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-bis(phenylmethoxy)chromen-4-one.

Molecular Properties

Compound Name2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-bis(phenylmethoxy)chromen-4-one
PubChem CID11443055
Molecular FormulaC29H22O7
Molecular Weight482.49 g/mol
Exact Mass482.14
IUPAC Name2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-bis(phenylmethoxy)chromen-4-one
SMILESO=c1c(OCc2ccccc2)c(-c2ccc(O)c(O)c2)oc2cc(OCc3ccccc3)cc(O)c12
InChIInChI=1S/C29H22O7/c30-22-12-11-20(13-23(22)31)28-29(35-17-19-9-5-2-6-10-19)27(33)26-24(32)14-21(15-25(26)36-28)34-16-18-7-3-1-4-8-18/h1-15,30-32H,16-17H2
InChIKeySUWZRJNANIQBFX-UHFFFAOYSA-N
XLogP5.73
TPSA109.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.49
LogP ≤ 55.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-[3,4-bis(phenylmethoxy)phenyl]-5-hydroxy-3,7-bis(phenylmethoxy)chromen-4-one
CID 11181398
6-benzyl-2-(3,4-dihydroxyphenyl)-3,5,7-tris(phenylmethoxy)chromen-4-one
CID 18703867
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-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
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
7-[(4-tert-butylphenyl)methoxy]-2-(3,4-dihydroxyphenyl)-3,5-dihydroxychromen-4-one
CID 142714408
[2-(3,4-dihydroxyphenyl)-3-(2,2-dimethylpropanoyloxymethoxy)-5-hydroxy-4-oxochromen-7-yl]oxymethyl 2,2-dimethylpropanoate
CID 56955877
2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxyacetic acid
CID 44592336
5-hydroxy-7-(2-methylbut-3-yn-2-yloxy)-2-phenyl-3-phenylmethoxychromen-4-one
CID 135026810

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-bis(phenylmethoxy)chromen-4-one?
The IUPAC name of 2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-bis(phenylmethoxy)chromen-4-one (CID 11443055) is 2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-bis(phenylmethoxy)chromen-4-one.
What is the SMILES notation for 2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-bis(phenylmethoxy)chromen-4-one?
The canonical SMILES for 2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-bis(phenylmethoxy)chromen-4-one is O=c1c(OCc2ccccc2)c(-c2ccc(O)c(O)c2)oc2cc(OCc3ccccc3)cc(O)c12.
What is the InChIKey of 2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-bis(phenylmethoxy)chromen-4-one?
The InChIKey is SUWZRJNANIQBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22O7/c30-22-12-11-20(13-23(22)31)28-29(35-17-19-9-5-2-6-10-19)27(33)26-24(32)14-21(15-25(26)36-28)34-16-18-7-3-1-4-8-18/h1-15,30-32H,16-17H2.
What are the key properties of 2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-bis(phenylmethoxy)chromen-4-one?
2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-bis(phenylmethoxy)chromen-4-one has a molecular weight of 482.49 g/mol, XLogP of 5.73, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-bis(phenylmethoxy)chromen-4-one is sourced from PubChem (CID 11443055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).