6,8-dihydroxy-2-(4-methoxyphenyl)-3-phenylmethoxychromen-4-one

C23H18O6 — CID 171935468

IUPAC6,8-dihydroxy-2-(4-methoxyphenyl)-3-phenylmethoxychromen-4-one
SMILESCOc1ccc(-c2oc3c(O)cc(O)cc3c(=O)c2OCc2ccccc2)cc1
InChIInChI=1S/C23H18O6/c1-27-17-9-7-15(8-10-17)21-23(28-13-14-5-3-2-4-6-14)20(26)18-11-16(24)12-19(25)22(18)29-21/h2-12,24-25H,13H2,1H3
InChIKeyXWENVPMAUDVLIM-UHFFFAOYSA-N
MW390.39 g/mol
LogP4.46
Rot. Bonds5

About 6,8-dihydroxy-2-(4-methoxyphenyl)-3-phenylmethoxychromen-4-one

6,8-dihydroxy-2-(4-methoxyphenyl)-3-phenylmethoxychromen-4-one (PubChem CID 171935468) has the molecular formula C23H18O6 and a molecular weight of 390.39 g/mol. Its IUPAC name is 6,8-dihydroxy-2-(4-methoxyphenyl)-3-phenylmethoxychromen-4-one.

Molecular Properties

Compound Name6,8-dihydroxy-2-(4-methoxyphenyl)-3-phenylmethoxychromen-4-one
PubChem CID171935468
Molecular FormulaC23H18O6
Molecular Weight390.39 g/mol
Exact Mass390.11
IUPAC Name6,8-dihydroxy-2-(4-methoxyphenyl)-3-phenylmethoxychromen-4-one
SMILESCOc1ccc(-c2oc3c(O)cc(O)cc3c(=O)c2OCc2ccccc2)cc1
InChIInChI=1S/C23H18O6/c1-27-17-9-7-15(8-10-17)21-23(28-13-14-5-3-2-4-6-14)20(26)18-11-16(24)12-19(25)22(18)29-21/h2-12,24-25H,13H2,1H3
InChIKeyXWENVPMAUDVLIM-UHFFFAOYSA-N
XLogP4.46
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-bis(phenylmethoxy)chromen-4-one
CID 11443055
5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-7-phenylmethoxychromen-4-one
CID 91601169
3,6,8-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 57368437
3-[(3-chlorophenyl)methoxy]-2-(4-methoxyphenyl)-6,7-dimethylchromen-4-one
CID 20999766
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-3,7-bis(phenylmethoxy)chromen-4-one
CID 11181398
3,5-dihydroxy-7-phenylmethoxy-2-(4-phenylmethoxyphenyl)chromen-4-one
CID 12775837
5,7-dihydroxy-8-[(1S)-1-(4-hydroxyphenyl)ethyl]-3-methoxy-2-(4-methoxyphenyl)chromen-4-one
CID 163021194
methyl 4-oxo-2-(4-phenylmethoxyphenyl)chromene-3-carboxylate
CID 14791371
2-[5-(2-benzyltetrazol-5-yl)-7-hydroxy-2-(4-methoxyphenyl)-1-benzofuran-3-yl]acetic acid
CID 139029663
5-hydroxy-7-(2-methylbut-3-yn-2-yloxy)-2-phenyl-3-phenylmethoxychromen-4-one
CID 135026810
3-hydroxy-7-methoxy-4-phenylmethoxychromen-2-one
CID 22402268

Frequently Asked Questions

What is the IUPAC name of 6,8-dihydroxy-2-(4-methoxyphenyl)-3-phenylmethoxychromen-4-one?
The IUPAC name of 6,8-dihydroxy-2-(4-methoxyphenyl)-3-phenylmethoxychromen-4-one (CID 171935468) is 6,8-dihydroxy-2-(4-methoxyphenyl)-3-phenylmethoxychromen-4-one.
What is the SMILES notation for 6,8-dihydroxy-2-(4-methoxyphenyl)-3-phenylmethoxychromen-4-one?
The canonical SMILES for 6,8-dihydroxy-2-(4-methoxyphenyl)-3-phenylmethoxychromen-4-one is COc1ccc(-c2oc3c(O)cc(O)cc3c(=O)c2OCc2ccccc2)cc1.
What is the InChIKey of 6,8-dihydroxy-2-(4-methoxyphenyl)-3-phenylmethoxychromen-4-one?
The InChIKey is XWENVPMAUDVLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O6/c1-27-17-9-7-15(8-10-17)21-23(28-13-14-5-3-2-4-6-14)20(26)18-11-16(24)12-19(25)22(18)29-21/h2-12,24-25H,13H2,1H3.
What are the key properties of 6,8-dihydroxy-2-(4-methoxyphenyl)-3-phenylmethoxychromen-4-one?
6,8-dihydroxy-2-(4-methoxyphenyl)-3-phenylmethoxychromen-4-one has a molecular weight of 390.39 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dihydroxy-2-(4-methoxyphenyl)-3-phenylmethoxychromen-4-one is sourced from PubChem (CID 171935468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).