(10S)-3-(4-hydroxyphenyl)-10-(4-oxochromen-3-yl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione

C27H16O7 — CID 97488658

IUPAC(10S)-3-(4-hydroxyphenyl)-10-(4-oxochromen-3-yl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
SMILESO=C1C[C@H](c2coc3ccccc3c2=O)c2c(ccc3c(=O)c(-c4ccc(O)cc4)coc23)O1
InChIInChI=1S/C27H16O7/c28-15-7-5-14(6-8-15)19-12-33-27-17(26(19)31)9-10-22-24(27)18(11-23(29)34-22)20-13-32-21-4-2-1-3-16(21)25(20)30/h1-10,12-13,18,28H,11H2/t18-/m1/s1
InChIKeyXWFKIYVRUNXZDK-GOSISDBHSA-N
MW452.42 g/mol
LogP4.71
Rot. Bonds2

About (10S)-3-(4-hydroxyphenyl)-10-(4-oxochromen-3-yl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione

(10S)-3-(4-hydroxyphenyl)-10-(4-oxochromen-3-yl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione (PubChem CID 97488658) has the molecular formula C27H16O7 and a molecular weight of 452.42 g/mol. Its IUPAC name is (10S)-3-(4-hydroxyphenyl)-10-(4-oxochromen-3-yl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione.

Molecular Properties

Compound Name(10S)-3-(4-hydroxyphenyl)-10-(4-oxochromen-3-yl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
PubChem CID97488658
Molecular FormulaC27H16O7
Molecular Weight452.42 g/mol
Exact Mass452.09
IUPAC Name(10S)-3-(4-hydroxyphenyl)-10-(4-oxochromen-3-yl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
SMILESO=C1C[C@H](c2coc3ccccc3c2=O)c2c(ccc3c(=O)c(-c4ccc(O)cc4)coc23)O1
InChIInChI=1S/C27H16O7/c28-15-7-5-14(6-8-15)19-12-33-27-17(26(19)31)9-10-22-24(27)18(11-23(29)34-22)20-13-32-21-4-2-1-3-16(21)25(20)30/h1-10,12-13,18,28H,11H2/t18-/m1/s1
InChIKeyXWFKIYVRUNXZDK-GOSISDBHSA-N
XLogP4.71
TPSA106.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.42
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(10R)-3-(4-hydroxyphenyl)-10-(4-oxochromen-3-yl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
CID 97488656
(10R)-10-(4-oxochromen-3-yl)-3-phenyl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
CID 124879681
(10S)-3-(4-hydroxyphenyl)-10-(3-methoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
CID 97488465
3-(4-hydroxyphenyl)-10-[1-(2-methylpropyl)-2-oxoquinolin-3-yl]-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
CID 75492565
6-acetyl-5-hydroxy-4-(4-oxochromen-3-yl)-3,4-dihydrochromen-2-one
CID 91637202
3-(4-hydroxyphenyl)-10-(4-propan-2-yloxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
CID 75491285
(10S)-5-hydroxy-10-(6-methoxy-4-oxochromen-3-yl)-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 125427861
(10R)-3-(4-hydroxyphenyl)-10-(3-methoxy-4-phenylmethoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
CID 97488105
(10R)-3-(4-fluorophenyl)-10-(2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
CID 124917636
(10R)-10-(3-hydroxy-4-methoxyphenyl)-3-phenyl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
CID 124874022
(10R)-10-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-3-methoxyphenyl]-3-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
CID 98884896
5-hydroxy-3-(4-hydroxyphenyl)-10-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 71826516

Frequently Asked Questions

What is the IUPAC name of (10S)-3-(4-hydroxyphenyl)-10-(4-oxochromen-3-yl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione?
The IUPAC name of (10S)-3-(4-hydroxyphenyl)-10-(4-oxochromen-3-yl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione (CID 97488658) is (10S)-3-(4-hydroxyphenyl)-10-(4-oxochromen-3-yl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione.
What is the SMILES notation for (10S)-3-(4-hydroxyphenyl)-10-(4-oxochromen-3-yl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione?
The canonical SMILES for (10S)-3-(4-hydroxyphenyl)-10-(4-oxochromen-3-yl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione is O=C1C[C@H](c2coc3ccccc3c2=O)c2c(ccc3c(=O)c(-c4ccc(O)cc4)coc23)O1.
What is the InChIKey of (10S)-3-(4-hydroxyphenyl)-10-(4-oxochromen-3-yl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione?
The InChIKey is XWFKIYVRUNXZDK-GOSISDBHSA-N. The full InChI is InChI=1S/C27H16O7/c28-15-7-5-14(6-8-15)19-12-33-27-17(26(19)31)9-10-22-24(27)18(11-23(29)34-22)20-13-32-21-4-2-1-3-16(21)25(20)30/h1-10,12-13,18,28H,11H2/t18-/m1/s1.
What are the key properties of (10S)-3-(4-hydroxyphenyl)-10-(4-oxochromen-3-yl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione?
(10S)-3-(4-hydroxyphenyl)-10-(4-oxochromen-3-yl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione has a molecular weight of 452.42 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-3-(4-hydroxyphenyl)-10-(4-oxochromen-3-yl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione is sourced from PubChem (CID 97488658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).