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

C25H18O6 — CID 124874022

IUPAC(10R)-10-(3-hydroxy-4-methoxyphenyl)-3-phenyl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
SMILESCOc1ccc([C@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccccc5)coc4c32)cc1O
InChIInChI=1S/C25H18O6/c1-29-20-9-7-15(11-19(20)26)17-12-22(27)31-21-10-8-16-24(28)18(13-30-25(16)23(17)21)14-5-3-2-4-6-14/h2-11,13,17,26H,12H2,1H3/t17-/m1/s1
InChIKeyAMZRPWXKUDAIPQ-QGZVFWFLSA-N
MW414.41 g/mol
LogP4.62
Rot. Bonds3

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

(10R)-10-(3-hydroxy-4-methoxyphenyl)-3-phenyl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione (PubChem CID 124874022) has the molecular formula C25H18O6 and a molecular weight of 414.41 g/mol. Its IUPAC name is (10R)-10-(3-hydroxy-4-methoxyphenyl)-3-phenyl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione.

Molecular Properties

Compound Name(10R)-10-(3-hydroxy-4-methoxyphenyl)-3-phenyl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
PubChem CID124874022
Molecular FormulaC25H18O6
Molecular Weight414.41 g/mol
Exact Mass414.11
IUPAC Name(10R)-10-(3-hydroxy-4-methoxyphenyl)-3-phenyl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
SMILESCOc1ccc([C@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccccc5)coc4c32)cc1O
InChIInChI=1S/C25H18O6/c1-29-20-9-7-15(11-19(20)26)17-12-22(27)31-21-10-8-16-24(28)18(13-30-25(16)23(17)21)14-5-3-2-4-6-14/h2-11,13,17,26H,12H2,1H3/t17-/m1/s1
InChIKeyAMZRPWXKUDAIPQ-QGZVFWFLSA-N
XLogP4.62
TPSA85.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.41
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (10R)-10-(3-hydroxy-4-methoxyphenyl)-3-phenyl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione with MolForge

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Related Compounds

3-(4-fluorophenyl)-10-(4-hydroxy-3-methoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
CID 110207416
(10R)-3-(4-hydroxyphenyl)-10-(3-methoxy-4-phenylmethoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
CID 97488105
(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-(4-hydroxyphenyl)-10-(3-methoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
CID 97488465
(10R)-3-(3,4-dimethoxyphenyl)-5-hydroxy-10-(3-hydroxy-4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 125123173
2-[4-[(10R)-3-(4-fluorophenyl)-4,8-dioxo-9,10-dihydropyrano[2,3-f]chromen-10-yl]-2-methoxyphenoxy]acetic acid
CID 124879709
(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
(10S)-10-(4-octoxyphenyl)-3-phenyl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
CID 124873437
(10R)-10-(3,4-dimethoxyphenyl)-5-hydroxy-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97045645
3-(4-hydroxyphenyl)-10-(4-propan-2-yloxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
CID 75491285
(10S)-3-(3,4-dimethoxyphenyl)-10-(3-pyrimidin-2-yloxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
CID 125429871
(10S)-3-(3,4-dimethoxyphenyl)-10-(2,3,4-trimethoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
CID 125122047

Frequently Asked Questions

What is the IUPAC name of (10R)-10-(3-hydroxy-4-methoxyphenyl)-3-phenyl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione?
The IUPAC name of (10R)-10-(3-hydroxy-4-methoxyphenyl)-3-phenyl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione (CID 124874022) is (10R)-10-(3-hydroxy-4-methoxyphenyl)-3-phenyl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione.
What is the SMILES notation for (10R)-10-(3-hydroxy-4-methoxyphenyl)-3-phenyl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione?
The canonical SMILES for (10R)-10-(3-hydroxy-4-methoxyphenyl)-3-phenyl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione is COc1ccc([C@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccccc5)coc4c32)cc1O.
What is the InChIKey of (10R)-10-(3-hydroxy-4-methoxyphenyl)-3-phenyl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione?
The InChIKey is AMZRPWXKUDAIPQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H18O6/c1-29-20-9-7-15(11-19(20)26)17-12-22(27)31-21-10-8-16-24(28)18(13-30-25(16)23(17)21)14-5-3-2-4-6-14/h2-11,13,17,26H,12H2,1H3/t17-/m1/s1.
What are the key properties of (10R)-10-(3-hydroxy-4-methoxyphenyl)-3-phenyl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione?
(10R)-10-(3-hydroxy-4-methoxyphenyl)-3-phenyl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione has a molecular weight of 414.41 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-10-(3-hydroxy-4-methoxyphenyl)-3-phenyl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione is sourced from PubChem (CID 124874022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).