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

C25H18O6 — CID 97488465

IUPAC(10S)-3-(4-hydroxyphenyl)-10-(3-methoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
SMILESCOc1cccc([C@@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c32)c1
InChIInChI=1S/C25H18O6/c1-29-17-4-2-3-15(11-17)19-12-22(27)31-21-10-9-18-24(28)20(13-30-25(18)23(19)21)14-5-7-16(26)8-6-14/h2-11,13,19,26H,12H2,1H3/t19-/m0/s1
InChIKeyKQZNRESJLJZRSR-IBGZPJMESA-N
MW414.41 g/mol
LogP4.62
Rot. Bonds3

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

(10S)-3-(4-hydroxyphenyl)-10-(3-methoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione (PubChem CID 97488465) has the molecular formula C25H18O6 and a molecular weight of 414.41 g/mol. Its IUPAC name is (10S)-3-(4-hydroxyphenyl)-10-(3-methoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione.

Molecular Properties

Compound Name(10S)-3-(4-hydroxyphenyl)-10-(3-methoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
PubChem CID97488465
Molecular FormulaC25H18O6
Molecular Weight414.41 g/mol
Exact Mass414.11
IUPAC Name(10S)-3-(4-hydroxyphenyl)-10-(3-methoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
SMILESCOc1cccc([C@@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c32)c1
InChIInChI=1S/C25H18O6/c1-29-17-4-2-3-15(11-17)19-12-22(27)31-21-10-9-18-24(28)20(13-30-25(18)23(19)21)14-5-7-16(26)8-6-14/h2-11,13,19,26H,12H2,1H3/t19-/m0/s1
InChIKeyKQZNRESJLJZRSR-IBGZPJMESA-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'}

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Related Compounds

5-hydroxy-10-(3-methoxyphenyl)-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 71753973
(10S)-3-(3,4-dimethoxyphenyl)-10-(3-pyrimidin-2-yloxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
CID 125429871
(10R)-3-(4-hydroxyphenyl)-10-(3-methoxy-4-phenylmethoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
CID 97488105
(10R)-10-(3-hydroxy-4-methoxyphenyl)-3-phenyl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
CID 124874022
3-(4-hydroxyphenyl)-10-(4-propan-2-yloxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
CID 75491285
(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-fluorophenyl)-10-(4-hydroxy-3-methoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
CID 110207416
(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-(4-oxochromen-3-yl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
CID 97488658
(10R)-3-(4-hydroxyphenyl)-10-(4-oxochromen-3-yl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
CID 97488656
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-(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 (10S)-3-(4-hydroxyphenyl)-10-(3-methoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione?
The IUPAC name of (10S)-3-(4-hydroxyphenyl)-10-(3-methoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione (CID 97488465) is (10S)-3-(4-hydroxyphenyl)-10-(3-methoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione.
What is the SMILES notation for (10S)-3-(4-hydroxyphenyl)-10-(3-methoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione?
The canonical SMILES for (10S)-3-(4-hydroxyphenyl)-10-(3-methoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione is COc1cccc([C@@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c32)c1.
What is the InChIKey of (10S)-3-(4-hydroxyphenyl)-10-(3-methoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione?
The InChIKey is KQZNRESJLJZRSR-IBGZPJMESA-N. The full InChI is InChI=1S/C25H18O6/c1-29-17-4-2-3-15(11-17)19-12-22(27)31-21-10-9-18-24(28)20(13-30-25(18)23(19)21)14-5-7-16(26)8-6-14/h2-11,13,19,26H,12H2,1H3/t19-/m0/s1.
What are the key properties of (10S)-3-(4-hydroxyphenyl)-10-(3-methoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione?
(10S)-3-(4-hydroxyphenyl)-10-(3-methoxyphenyl)-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 (10S)-3-(4-hydroxyphenyl)-10-(3-methoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione is sourced from PubChem (CID 97488465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).