7-hydroxy-8-[[7-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]methyl]-2-(4-methoxyphenyl)chromen-4-one

C33H24O8 — CID 91431770

IUPAC7-hydroxy-8-[[7-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]methyl]-2-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2cc(=O)c3ccc(O)c(Cc4c(O)ccc5c(=O)cc(-c6ccc(OC)cc6)oc45)c3o2)cc1
InChIInChI=1S/C33H24O8/c1-38-20-7-3-18(4-8-20)30-16-28(36)22-11-13-26(34)24(32(22)40-30)15-25-27(35)14-12-23-29(37)17-31(41-33(23)25)19-5-9-21(39-2)10-6-19/h3-14,16-17,34-35H,15H2,1-2H3
InChIKeyPKFWHKSQXKKQQB-UHFFFAOYSA-N
MW548.55 g/mol
LogP6.25
Rot. Bonds6

About 7-hydroxy-8-[[7-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]methyl]-2-(4-methoxyphenyl)chromen-4-one

7-hydroxy-8-[[7-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]methyl]-2-(4-methoxyphenyl)chromen-4-one (PubChem CID 91431770) has the molecular formula C33H24O8 and a molecular weight of 548.55 g/mol. Its IUPAC name is 7-hydroxy-8-[[7-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]methyl]-2-(4-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name7-hydroxy-8-[[7-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]methyl]-2-(4-methoxyphenyl)chromen-4-one
PubChem CID91431770
Molecular FormulaC33H24O8
Molecular Weight548.55 g/mol
Exact Mass548.15
IUPAC Name7-hydroxy-8-[[7-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]methyl]-2-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2cc(=O)c3ccc(O)c(Cc4c(O)ccc5c(=O)cc(-c6ccc(OC)cc6)oc45)c3o2)cc1
InChIInChI=1S/C33H24O8/c1-38-20-7-3-18(4-8-20)30-16-28(36)22-11-13-26(34)24(32(22)40-30)15-25-27(35)14-12-23-29(37)17-31(41-33(23)25)19-5-9-21(39-2)10-6-19/h3-14,16-17,34-35H,15H2,1-2H3
InChIKeyPKFWHKSQXKKQQB-UHFFFAOYSA-N
XLogP6.25
TPSA119.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.55
LogP ≤ 56.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

7-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-olate
CID 164575986
6,7,8-trihydroxy-2-(4-methoxyphenyl)chromen-4-one
CID 16657777
8-butyl-7-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 70069758
8-ethyl-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one
CID 130427398
2-(4-bromophenyl)-7-methoxychromen-4-one
CID 25032618
6,8-difluoro-2-(4-methoxyphenyl)chromen-4-one
CID 171716334
6,8-diamino-2-(4-methoxyphenyl)chromen-4-one
CID 139992876
2-(4-hydroxyphenyl)-8-methoxychromen-4-one
CID 11687621
7-hydroxy-2-(4-hydroxy-3-propylphenyl)-8-propylchromen-4-one
CID 70072190
4,9,14-tris(4-methoxyphenyl)-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene
CID 102345821
6,7-dimethoxy-2-[4-(4-methoxyphenyl)phenyl]chromen-4-one
CID 155754088
8-bromo-5-hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
CID 15870477

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-8-[[7-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]methyl]-2-(4-methoxyphenyl)chromen-4-one?
The IUPAC name of 7-hydroxy-8-[[7-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]methyl]-2-(4-methoxyphenyl)chromen-4-one (CID 91431770) is 7-hydroxy-8-[[7-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]methyl]-2-(4-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 7-hydroxy-8-[[7-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]methyl]-2-(4-methoxyphenyl)chromen-4-one?
The canonical SMILES for 7-hydroxy-8-[[7-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]methyl]-2-(4-methoxyphenyl)chromen-4-one is COc1ccc(-c2cc(=O)c3ccc(O)c(Cc4c(O)ccc5c(=O)cc(-c6ccc(OC)cc6)oc45)c3o2)cc1.
What is the InChIKey of 7-hydroxy-8-[[7-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]methyl]-2-(4-methoxyphenyl)chromen-4-one?
The InChIKey is PKFWHKSQXKKQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24O8/c1-38-20-7-3-18(4-8-20)30-16-28(36)22-11-13-26(34)24(32(22)40-30)15-25-27(35)14-12-23-29(37)17-31(41-33(23)25)19-5-9-21(39-2)10-6-19/h3-14,16-17,34-35H,15H2,1-2H3.
What are the key properties of 7-hydroxy-8-[[7-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]methyl]-2-(4-methoxyphenyl)chromen-4-one?
7-hydroxy-8-[[7-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]methyl]-2-(4-methoxyphenyl)chromen-4-one has a molecular weight of 548.55 g/mol, XLogP of 6.25, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-8-[[7-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]methyl]-2-(4-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 91431770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).