6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one

C30H18O10 — CID 118717693

IUPAC6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one
SMILESO=c1cc(-c2ccc(Oc3c(O)cc4occ(-c5ccc(O)cc5)c(=O)c4c3O)cc2)oc2cc(O)cc(O)c12
InChIInChI=1S/C30H18O10/c31-16-5-1-14(2-6-16)19-13-38-24-12-22(35)30(29(37)27(24)28(19)36)39-18-7-3-15(4-8-18)23-11-21(34)26-20(33)9-17(32)10-25(26)40-23/h1-13,31-33,35,37H
InChIKeyHLFVFEBKCLAGBY-UHFFFAOYSA-N
MW538.46 g/mol
LogP5.55
Rot. Bonds4

About 6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one

6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one (PubChem CID 118717693) has the molecular formula C30H18O10 and a molecular weight of 538.46 g/mol. Its IUPAC name is 6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one.

Molecular Properties

Compound Name6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one
PubChem CID118717693
Molecular FormulaC30H18O10
Molecular Weight538.46 g/mol
Exact Mass538.09
IUPAC Name6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one
SMILESO=c1cc(-c2ccc(Oc3c(O)cc4occ(-c5ccc(O)cc5)c(=O)c4c3O)cc2)oc2cc(O)cc(O)c12
InChIInChI=1S/C30H18O10/c31-16-5-1-14(2-6-16)19-13-38-24-12-22(35)30(29(37)27(24)28(19)36)39-18-7-3-15(4-8-18)23-11-21(34)26-20(33)9-17(32)10-25(26)40-23/h1-13,31-33,35,37H
InChIKeyHLFVFEBKCLAGBY-UHFFFAOYSA-N
XLogP5.55
TPSA170.80 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.46
LogP ≤ 55.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one?
The IUPAC name of 6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one (CID 118717693) is 6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one.
What is the SMILES notation for 6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one?
The canonical SMILES for 6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one is O=c1cc(-c2ccc(Oc3c(O)cc4occ(-c5ccc(O)cc5)c(=O)c4c3O)cc2)oc2cc(O)cc(O)c12.
What is the InChIKey of 6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one?
The InChIKey is HLFVFEBKCLAGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18O10/c31-16-5-1-14(2-6-16)19-13-38-24-12-22(35)30(29(37)27(24)28(19)36)39-18-7-3-15(4-8-18)23-11-21(34)26-20(33)9-17(32)10-25(26)40-23/h1-13,31-33,35,37H.
What are the key properties of 6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one?
6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one has a molecular weight of 538.46 g/mol, XLogP of 5.55, 4 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one is sourced from PubChem (CID 118717693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).