7-hydroxy-3-[4-[2-hydroxy-5-(7-hydroxy-4-oxochromen-3-yl)phenoxy]phenyl]chromen-4-one

C30H18O8 — CID 59021643

IUPAC7-hydroxy-3-[4-[2-hydroxy-5-(7-hydroxy-4-oxochromen-3-yl)phenoxy]phenyl]chromen-4-one
SMILESO=c1c(-c2ccc(Oc3cc(-c4coc5cc(O)ccc5c4=O)ccc3O)cc2)coc2cc(O)ccc12
InChIInChI=1S/C30H18O8/c31-18-4-8-21-26(12-18)36-14-23(29(21)34)16-1-6-20(7-2-16)38-28-11-17(3-10-25(28)33)24-15-37-27-13-19(32)5-9-22(27)30(24)35/h1-15,31-33H
InChIKeyXENWNTDPMNJEAY-UHFFFAOYSA-N
MW506.47 g/mol
LogP6.14
Rot. Bonds4

About 7-hydroxy-3-[4-[2-hydroxy-5-(7-hydroxy-4-oxochromen-3-yl)phenoxy]phenyl]chromen-4-one

7-hydroxy-3-[4-[2-hydroxy-5-(7-hydroxy-4-oxochromen-3-yl)phenoxy]phenyl]chromen-4-one (PubChem CID 59021643) has the molecular formula C30H18O8 and a molecular weight of 506.47 g/mol. Its IUPAC name is 7-hydroxy-3-[4-[2-hydroxy-5-(7-hydroxy-4-oxochromen-3-yl)phenoxy]phenyl]chromen-4-one.

Molecular Properties

Compound Name7-hydroxy-3-[4-[2-hydroxy-5-(7-hydroxy-4-oxochromen-3-yl)phenoxy]phenyl]chromen-4-one
PubChem CID59021643
Molecular FormulaC30H18O8
Molecular Weight506.47 g/mol
Exact Mass506.10
IUPAC Name7-hydroxy-3-[4-[2-hydroxy-5-(7-hydroxy-4-oxochromen-3-yl)phenoxy]phenyl]chromen-4-one
SMILESO=c1c(-c2ccc(Oc3cc(-c4coc5cc(O)ccc5c4=O)ccc3O)cc2)coc2cc(O)ccc12
InChIInChI=1S/C30H18O8/c31-18-4-8-21-26(12-18)36-14-23(29(21)34)16-1-6-20(7-2-16)38-28-11-17(3-10-25(28)33)24-15-37-27-13-19(32)5-9-22(27)30(24)35/h1-15,31-33H
InChIKeyXENWNTDPMNJEAY-UHFFFAOYSA-N
XLogP6.14
TPSA130.34 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.47
LogP ≤ 56.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

8-chloro-7-hydroxy-3-[4-[2-hydroxy-5-(7-hydroxy-4-oxochromen-3-yl)phenoxy]phenyl]chromen-4-one
CID 170990051
3-(4-ethoxyphenyl)-7-hydroxychromen-4-one
CID 71406499
7-hydroxy-3-[4-hydroxy-3-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]chromen-4-one
CID 163056951
3-(4-acetylphenyl)-7-hydroxychromen-4-one
CID 71506237
4-(7-hydroxy-4-oxochromen-3-yl)benzoic acid
CID 67365953
7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one;[3-(4-hydroxyphenyl)-4-oxochromen-7-yl] 2-chloroacetate
CID 158879898
7-hydroxy-3-(4-iodophenoxy)chromen-4-one
CID 5428913
3-(4-ethenylphenyl)-7-hydroxychromen-4-one
CID 71481413
7-hydroxy-3-[4-(trifluoromethyl)phenyl]chromen-4-one
CID 25211267
Daidzein 7-Sulfate Potassium Salt
CID 169436996
7-hydroxy-3-(2-hydroxyphenoxy)chromen-4-one
CID 165346061
6-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-7-methylchromen-4-one
CID 42604870

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-[4-[2-hydroxy-5-(7-hydroxy-4-oxochromen-3-yl)phenoxy]phenyl]chromen-4-one?
The IUPAC name of 7-hydroxy-3-[4-[2-hydroxy-5-(7-hydroxy-4-oxochromen-3-yl)phenoxy]phenyl]chromen-4-one (CID 59021643) is 7-hydroxy-3-[4-[2-hydroxy-5-(7-hydroxy-4-oxochromen-3-yl)phenoxy]phenyl]chromen-4-one.
What is the SMILES notation for 7-hydroxy-3-[4-[2-hydroxy-5-(7-hydroxy-4-oxochromen-3-yl)phenoxy]phenyl]chromen-4-one?
The canonical SMILES for 7-hydroxy-3-[4-[2-hydroxy-5-(7-hydroxy-4-oxochromen-3-yl)phenoxy]phenyl]chromen-4-one is O=c1c(-c2ccc(Oc3cc(-c4coc5cc(O)ccc5c4=O)ccc3O)cc2)coc2cc(O)ccc12.
What is the InChIKey of 7-hydroxy-3-[4-[2-hydroxy-5-(7-hydroxy-4-oxochromen-3-yl)phenoxy]phenyl]chromen-4-one?
The InChIKey is XENWNTDPMNJEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18O8/c31-18-4-8-21-26(12-18)36-14-23(29(21)34)16-1-6-20(7-2-16)38-28-11-17(3-10-25(28)33)24-15-37-27-13-19(32)5-9-22(27)30(24)35/h1-15,31-33H.
What are the key properties of 7-hydroxy-3-[4-[2-hydroxy-5-(7-hydroxy-4-oxochromen-3-yl)phenoxy]phenyl]chromen-4-one?
7-hydroxy-3-[4-[2-hydroxy-5-(7-hydroxy-4-oxochromen-3-yl)phenoxy]phenyl]chromen-4-one has a molecular weight of 506.47 g/mol, XLogP of 6.14, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-[4-[2-hydroxy-5-(7-hydroxy-4-oxochromen-3-yl)phenoxy]phenyl]chromen-4-one is sourced from PubChem (CID 59021643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).