(10R)-10-(3-chloro-2-fluorophenyl)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

C24H14ClFO8 — CID 97488660

IUPAC(10R)-10-(3-chloro-2-fluorophenyl)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESO=C1C[C@@H](c2cccc(Cl)c2F)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1
InChIInChI=1S/C24H14ClFO8/c25-12-3-1-2-10(20(12)26)11-7-17(30)33-16-8-15(29)19-21(31)22(32)23(34-24(19)18(11)16)9-4-5-13(27)14(28)6-9/h1-6,8,11,27-29,32H,7H2/t11-/m0/s1
InChIKeySFPQIPVOTZKAFM-NSHDSACASA-N
MW484.82 g/mol
LogP4.52
Rot. Bonds2

About (10R)-10-(3-chloro-2-fluorophenyl)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

(10R)-10-(3-chloro-2-fluorophenyl)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (PubChem CID 97488660) has the molecular formula C24H14ClFO8 and a molecular weight of 484.82 g/mol. Its IUPAC name is (10R)-10-(3-chloro-2-fluorophenyl)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

Molecular Properties

Compound Name(10R)-10-(3-chloro-2-fluorophenyl)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
PubChem CID97488660
Molecular FormulaC24H14ClFO8
Molecular Weight484.82 g/mol
Exact Mass484.04
IUPAC Name(10R)-10-(3-chloro-2-fluorophenyl)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESO=C1C[C@@H](c2cccc(Cl)c2F)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1
InChIInChI=1S/C24H14ClFO8/c25-12-3-1-2-10(20(12)26)11-7-17(30)33-16-8-15(29)19-21(31)22(32)23(34-24(19)18(11)16)9-4-5-13(27)14(28)6-9/h1-6,8,11,27-29,32H,7H2/t11-/m0/s1
InChIKeySFPQIPVOTZKAFM-NSHDSACASA-N
XLogP4.52
TPSA137.43 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.82
LogP ≤ 54.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (10R)-10-(3-chloro-2-fluorophenyl)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The IUPAC name of (10R)-10-(3-chloro-2-fluorophenyl)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (CID 97488660) is (10R)-10-(3-chloro-2-fluorophenyl)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.
What is the SMILES notation for (10R)-10-(3-chloro-2-fluorophenyl)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The canonical SMILES for (10R)-10-(3-chloro-2-fluorophenyl)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is O=C1C[C@@H](c2cccc(Cl)c2F)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1.
What is the InChIKey of (10R)-10-(3-chloro-2-fluorophenyl)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The InChIKey is SFPQIPVOTZKAFM-NSHDSACASA-N. The full InChI is InChI=1S/C24H14ClFO8/c25-12-3-1-2-10(20(12)26)11-7-17(30)33-16-8-15(29)19-21(31)22(32)23(34-24(19)18(11)16)9-4-5-13(27)14(28)6-9/h1-6,8,11,27-29,32H,7H2/t11-/m0/s1.
What are the key properties of (10R)-10-(3-chloro-2-fluorophenyl)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
(10R)-10-(3-chloro-2-fluorophenyl)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione has a molecular weight of 484.82 g/mol, XLogP of 4.52, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-10-(3-chloro-2-fluorophenyl)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is sourced from PubChem (CID 97488660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).