(10S)-5-hydroxy-10-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

C30H26O8 — CID 97045587

About (10S)-5-hydroxy-10-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

(10S)-5-hydroxy-10-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (PubChem CID 97045587) has the molecular formula C30H26O8 and a molecular weight of 514.53 g/mol. Its IUPAC name is (10S)-5-hydroxy-10-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

Molecular Properties

• Compound Name: (10S)-5-hydroxy-10-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
• PubChem CID: 97045587
• Molecular Formula: C30H26O8
• Molecular Weight: 514.53 g/mol
• Exact Mass: 514.16
• IUPAC Name: (10S)-5-hydroxy-10-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
• SMILES: C=C(C)COc1ccc([C@@H]2CC(=O)Oc3cc(O)c4c(=O)c(-c5ccc(OC)cc5)coc4c32)cc1OC
• InChI: InChI=1S/C30H26O8/c1-16(2)14-36-23-10-7-18(11-24(23)35-4)20-12-26(32)38-25-13-22(31)28-29(33)21(15-37-30(28)27(20)25)17-5-8-19(34-3)9-6-17/h5-11,13,15,20,31H,1,12,14H2,2-4H3/t20-/m0/s1
• InChIKey: GGDUBAWAUCRSTC-FQEVSTJZSA-N
• XLogP: 5.58
• TPSA: 104.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.53
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (10S)-5-hydroxy-10-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?

The IUPAC name of (10S)-5-hydroxy-10-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (CID 97045587) is (10S)-5-hydroxy-10-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

What is the SMILES notation for (10S)-5-hydroxy-10-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?

The canonical SMILES for (10S)-5-hydroxy-10-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is C=C(C)COc1ccc([C@@H]2CC(=O)Oc3cc(O)c4c(=O)c(-c5ccc(OC)cc5)coc4c32)cc1OC.

What is the InChIKey of (10S)-5-hydroxy-10-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?

The InChIKey is GGDUBAWAUCRSTC-FQEVSTJZSA-N. The full InChI is InChI=1S/C30H26O8/c1-16(2)14-36-23-10-7-18(11-24(23)35-4)20-12-26(32)38-25-13-22(31)28-29(33)21(15-37-30(28)27(20)25)17-5-8-19(34-3)9-6-17/h5-11,13,15,20,31H,1,12,14H2,2-4H3/t20-/m0/s1.

What are the key properties of (10S)-5-hydroxy-10-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?

(10S)-5-hydroxy-10-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione has a molecular weight of 514.53 g/mol, XLogP of 5.58, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (10S)-5-hydroxy-10-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is sourced from PubChem (CID 97045587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).