5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-7-phenylmethoxychromen-4-one

C23H18O5 — CID 91601169

IUPAC5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-7-phenylmethoxychromen-4-one
SMILESCc1c(-c2ccc(O)cc2)oc2cc(OCc3ccccc3)cc(O)c2c1=O
InChIInChI=1S/C23H18O5/c1-14-22(26)21-19(25)11-18(27-13-15-5-3-2-4-6-15)12-20(21)28-23(14)16-7-9-17(24)10-8-16/h2-12,24-25H,13H2,1H3
InChIKeySBOIIRVJIFHVKK-UHFFFAOYSA-N
MW374.39 g/mol
LogP4.76
Rot. Bonds4

About 5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-7-phenylmethoxychromen-4-one

5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-7-phenylmethoxychromen-4-one (PubChem CID 91601169) has the molecular formula C23H18O5 and a molecular weight of 374.39 g/mol. Its IUPAC name is 5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-7-phenylmethoxychromen-4-one.

Molecular Properties

Compound Name5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-7-phenylmethoxychromen-4-one
PubChem CID91601169
Molecular FormulaC23H18O5
Molecular Weight374.39 g/mol
Exact Mass374.12
IUPAC Name5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-7-phenylmethoxychromen-4-one
SMILESCc1c(-c2ccc(O)cc2)oc2cc(OCc3ccccc3)cc(O)c2c1=O
InChIInChI=1S/C23H18O5/c1-14-22(26)21-19(25)11-18(27-13-15-5-3-2-4-6-15)12-20(21)28-23(14)16-7-9-17(24)10-8-16/h2-12,24-25H,13H2,1H3
InChIKeySBOIIRVJIFHVKK-UHFFFAOYSA-N
XLogP4.76
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dihydroxy-7-phenylmethoxy-2-(4-phenylmethoxyphenyl)chromen-4-one
CID 12775837
2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-bis(phenylmethoxy)chromen-4-one
CID 11443055
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methylchromen-4-one
CID 15661821
2-[3,4-bis(phenylmethoxy)phenyl]-5-hydroxy-3,7-bis(phenylmethoxy)chromen-4-one
CID 11181398
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-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-7-(2-methylbut-3-yn-2-yloxy)-2-phenyl-3-phenylmethoxychromen-4-one
CID 135026810
7-[(4-tert-butylphenyl)methoxy]-2-(3,4-dihydroxyphenyl)-3,5-dihydroxychromen-4-one
CID 142714408
7-[2-(diethylamino)ethoxy]-5-hydroxy-3-methoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]chromen-4-one
CID 142688417
5-hydroxy-3,7-dimethoxy-2-phenylchromen-4-one
CID 139068259

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-7-phenylmethoxychromen-4-one?
The IUPAC name of 5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-7-phenylmethoxychromen-4-one (CID 91601169) is 5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-7-phenylmethoxychromen-4-one.
What is the SMILES notation for 5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-7-phenylmethoxychromen-4-one?
The canonical SMILES for 5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-7-phenylmethoxychromen-4-one is Cc1c(-c2ccc(O)cc2)oc2cc(OCc3ccccc3)cc(O)c2c1=O.
What is the InChIKey of 5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-7-phenylmethoxychromen-4-one?
The InChIKey is SBOIIRVJIFHVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O5/c1-14-22(26)21-19(25)11-18(27-13-15-5-3-2-4-6-15)12-20(21)28-23(14)16-7-9-17(24)10-8-16/h2-12,24-25H,13H2,1H3.
What are the key properties of 5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-7-phenylmethoxychromen-4-one?
5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-7-phenylmethoxychromen-4-one has a molecular weight of 374.39 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-7-phenylmethoxychromen-4-one is sourced from PubChem (CID 91601169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).