2-[3-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-4-hydroxyphenyl]-5,7-dihydroxychromen-4-one

C30H20O10 — CID 155896347

IUPAC2-[3-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-4-hydroxyphenyl]-5,7-dihydroxychromen-4-one
SMILESO=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1c1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)ccc1O
InChIInChI=1S/C30H20O10/c31-15-4-1-13(2-5-15)30-26(29(38)28-21(36)9-17(33)11-25(28)40-30)18-7-14(3-6-19(18)34)23-12-22(37)27-20(35)8-16(32)10-24(27)39-23/h1-12,26,30-36H
InChIKeyFJQKFQHINZIKPQ-UHFFFAOYSA-N
MW540.48 g/mol
LogP4.79
Rot. Bonds3

About 2-[3-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-4-hydroxyphenyl]-5,7-dihydroxychromen-4-one

2-[3-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-4-hydroxyphenyl]-5,7-dihydroxychromen-4-one (PubChem CID 155896347) has the molecular formula C30H20O10 and a molecular weight of 540.48 g/mol. Its IUPAC name is 2-[3-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-4-hydroxyphenyl]-5,7-dihydroxychromen-4-one.

Molecular Properties

Compound Name2-[3-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-4-hydroxyphenyl]-5,7-dihydroxychromen-4-one
PubChem CID155896347
Molecular FormulaC30H20O10
Molecular Weight540.48 g/mol
Exact Mass540.11
IUPAC Name2-[3-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-4-hydroxyphenyl]-5,7-dihydroxychromen-4-one
SMILESO=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1c1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)ccc1O
InChIInChI=1S/C30H20O10/c31-15-4-1-13(2-5-15)30-26(29(38)28-21(36)9-17(33)11-25(28)40-30)18-7-14(3-6-19(18)34)23-12-22(37)27-20(35)8-16(32)10-24(27)39-23/h1-12,26,30-36H
InChIKeyFJQKFQHINZIKPQ-UHFFFAOYSA-N
XLogP4.79
TPSA177.89 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.48
LogP ≤ 54.79
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-4-hydroxyphenyl]-5,7-dihydroxychromen-4-one?
The IUPAC name of 2-[3-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-4-hydroxyphenyl]-5,7-dihydroxychromen-4-one (CID 155896347) is 2-[3-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-4-hydroxyphenyl]-5,7-dihydroxychromen-4-one.
What is the SMILES notation for 2-[3-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-4-hydroxyphenyl]-5,7-dihydroxychromen-4-one?
The canonical SMILES for 2-[3-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-4-hydroxyphenyl]-5,7-dihydroxychromen-4-one is O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1c1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)ccc1O.
What is the InChIKey of 2-[3-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-4-hydroxyphenyl]-5,7-dihydroxychromen-4-one?
The InChIKey is FJQKFQHINZIKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20O10/c31-15-4-1-13(2-5-15)30-26(29(38)28-21(36)9-17(33)11-25(28)40-30)18-7-14(3-6-19(18)34)23-12-22(37)27-20(35)8-16(32)10-24(27)39-23/h1-12,26,30-36H.
What are the key properties of 2-[3-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-4-hydroxyphenyl]-5,7-dihydroxychromen-4-one?
2-[3-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-4-hydroxyphenyl]-5,7-dihydroxychromen-4-one has a molecular weight of 540.48 g/mol, XLogP of 4.79, 3 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-4-hydroxyphenyl]-5,7-dihydroxychromen-4-one is sourced from PubChem (CID 155896347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).