10-(3-chloro-4-hydroxyphenyl)-6-hydroxy-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione

C19H13ClO6 — CID 171038297

IUPAC10-(3-chloro-4-hydroxyphenyl)-6-hydroxy-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione
SMILESCc1cc(=O)oc2c3c(c(O)cc12)OC(=O)CC3c1ccc(O)c(Cl)c1
InChIInChI=1S/C19H13ClO6/c1-8-4-15(23)25-18-10(8)6-14(22)19-17(18)11(7-16(24)26-19)9-2-3-13(21)12(20)5-9/h2-6,11,21-22H,7H2,1H3
InChIKeyWMDCFNUKIQFGBW-UHFFFAOYSA-N
MW372.76 g/mol
LogP3.61
Rot. Bonds1

About 10-(3-chloro-4-hydroxyphenyl)-6-hydroxy-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione

10-(3-chloro-4-hydroxyphenyl)-6-hydroxy-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione (PubChem CID 171038297) has the molecular formula C19H13ClO6 and a molecular weight of 372.76 g/mol. Its IUPAC name is 10-(3-chloro-4-hydroxyphenyl)-6-hydroxy-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione.

Molecular Properties

Compound Name10-(3-chloro-4-hydroxyphenyl)-6-hydroxy-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione
PubChem CID171038297
Molecular FormulaC19H13ClO6
Molecular Weight372.76 g/mol
Exact Mass372.04
IUPAC Name10-(3-chloro-4-hydroxyphenyl)-6-hydroxy-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione
SMILESCc1cc(=O)oc2c3c(c(O)cc12)OC(=O)CC3c1ccc(O)c(Cl)c1
InChIInChI=1S/C19H13ClO6/c1-8-4-15(23)25-18-10(8)6-14(22)19-17(18)11(7-16(24)26-19)9-2-3-13(21)12(20)5-9/h2-6,11,21-22H,7H2,1H3
InChIKeyWMDCFNUKIQFGBW-UHFFFAOYSA-N
XLogP3.61
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.76
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-(3-chloro-4-hydroxyphenyl)-6-hydroxy-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione?
The IUPAC name of 10-(3-chloro-4-hydroxyphenyl)-6-hydroxy-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione (CID 171038297) is 10-(3-chloro-4-hydroxyphenyl)-6-hydroxy-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione.
What is the SMILES notation for 10-(3-chloro-4-hydroxyphenyl)-6-hydroxy-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione?
The canonical SMILES for 10-(3-chloro-4-hydroxyphenyl)-6-hydroxy-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione is Cc1cc(=O)oc2c3c(c(O)cc12)OC(=O)CC3c1ccc(O)c(Cl)c1.
What is the InChIKey of 10-(3-chloro-4-hydroxyphenyl)-6-hydroxy-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione?
The InChIKey is WMDCFNUKIQFGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClO6/c1-8-4-15(23)25-18-10(8)6-14(22)19-17(18)11(7-16(24)26-19)9-2-3-13(21)12(20)5-9/h2-6,11,21-22H,7H2,1H3.
What are the key properties of 10-(3-chloro-4-hydroxyphenyl)-6-hydroxy-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione?
10-(3-chloro-4-hydroxyphenyl)-6-hydroxy-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione has a molecular weight of 372.76 g/mol, XLogP of 3.61, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-chloro-4-hydroxyphenyl)-6-hydroxy-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione is sourced from PubChem (CID 171038297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).