3-(4-fluorophenyl)-10-(4-hydroxy-3-methoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione

C25H17FO6 — CID 110207416

IUPAC3-(4-fluorophenyl)-10-(4-hydroxy-3-methoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
SMILESCOc1cc(C2CC(=O)Oc3ccc4c(=O)c(-c5ccc(F)cc5)coc4c32)ccc1O
InChIInChI=1S/C25H17FO6/c1-30-21-10-14(4-8-19(21)27)17-11-22(28)32-20-9-7-16-24(29)18(12-31-25(16)23(17)20)13-2-5-15(26)6-3-13/h2-10,12,17,27H,11H2,1H3
InChIKeyRBEQMLGTRGRXRV-UHFFFAOYSA-N
MW432.40 g/mol
LogP4.75
Rot. Bonds3

About 3-(4-fluorophenyl)-10-(4-hydroxy-3-methoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione

3-(4-fluorophenyl)-10-(4-hydroxy-3-methoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione (PubChem CID 110207416) has the molecular formula C25H17FO6 and a molecular weight of 432.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-10-(4-hydroxy-3-methoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione.

Molecular Properties

Compound Name3-(4-fluorophenyl)-10-(4-hydroxy-3-methoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
PubChem CID110207416
Molecular FormulaC25H17FO6
Molecular Weight432.40 g/mol
Exact Mass432.10
IUPAC Name3-(4-fluorophenyl)-10-(4-hydroxy-3-methoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
SMILESCOc1cc(C2CC(=O)Oc3ccc4c(=O)c(-c5ccc(F)cc5)coc4c32)ccc1O
InChIInChI=1S/C25H17FO6/c1-30-21-10-14(4-8-19(21)27)17-11-22(28)32-20-9-7-16-24(29)18(12-31-25(16)23(17)20)13-2-5-15(26)6-3-13/h2-10,12,17,27H,11H2,1H3
InChIKeyRBEQMLGTRGRXRV-UHFFFAOYSA-N
XLogP4.75
TPSA85.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.40
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(10R)-3-(4-fluorophenyl)-4,8-dioxo-9,10-dihydropyrano[2,3-f]chromen-10-yl]-2-methoxyphenoxy]acetic acid
CID 124879709
(10R)-10-(3-hydroxy-4-methoxyphenyl)-3-phenyl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
CID 124874022
(10S)-3-(4-hydroxyphenyl)-10-(3-methoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
CID 97488465
(10R)-3-(4-hydroxyphenyl)-10-(3-methoxy-4-phenylmethoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
CID 97488105
(10S)-3-(4-hydroxyphenyl)-10-[3-methoxy-4-[2-(4-methoxyphenyl)ethoxy]phenyl]-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
CID 98884867
3-(4-hydroxyphenyl)-10-(4-propan-2-yloxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
CID 75491285
(10R)-10-(3,4-dimethoxyphenyl)-5-hydroxy-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97045645
(10S)-5-hydroxy-10-(3-hydroxy-4-methoxyphenyl)-3-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97424618
(10S)-3-(3,4-dimethoxyphenyl)-10-(2,3,4-trimethoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
CID 125122047
(10R)-3-(4-fluorophenyl)-10-(2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
CID 124917636
(10R)-3-(3,4-dimethoxyphenyl)-5-hydroxy-10-(3-hydroxy-4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 125123173
[4-[(10S)-5-hydroxy-3-(4-methoxyphenyl)-4,8-dioxo-9,10-dihydropyrano[2,3-h]chromen-10-yl]-2,6-dimethoxyphenyl] acetate
CID 97045687

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-10-(4-hydroxy-3-methoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione?
The IUPAC name of 3-(4-fluorophenyl)-10-(4-hydroxy-3-methoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione (CID 110207416) is 3-(4-fluorophenyl)-10-(4-hydroxy-3-methoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione.
What is the SMILES notation for 3-(4-fluorophenyl)-10-(4-hydroxy-3-methoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione?
The canonical SMILES for 3-(4-fluorophenyl)-10-(4-hydroxy-3-methoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione is COc1cc(C2CC(=O)Oc3ccc4c(=O)c(-c5ccc(F)cc5)coc4c32)ccc1O.
What is the InChIKey of 3-(4-fluorophenyl)-10-(4-hydroxy-3-methoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione?
The InChIKey is RBEQMLGTRGRXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17FO6/c1-30-21-10-14(4-8-19(21)27)17-11-22(28)32-20-9-7-16-24(29)18(12-31-25(16)23(17)20)13-2-5-15(26)6-3-13/h2-10,12,17,27H,11H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-10-(4-hydroxy-3-methoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione?
3-(4-fluorophenyl)-10-(4-hydroxy-3-methoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione has a molecular weight of 432.40 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-10-(4-hydroxy-3-methoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione is sourced from PubChem (CID 110207416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).