(2Z,9R)-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-9-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

C37H31NO7 — CID 125122631

IUPAC(2Z,9R)-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-9-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESCOc1ccc(CCOc2ccccc2[C@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2cn(C)c3ccc(OC)cc23)C4=O)cc1
InChIInChI=1S/C37H31NO7/c1-38-21-23(28-19-25(42-3)12-14-30(28)38)18-33-36(40)27-13-15-32-35(37(27)45-33)29(20-34(39)44-32)26-6-4-5-7-31(26)43-17-16-22-8-10-24(41-2)11-9-22/h4-15,18-19,21,29H,16-17,20H2,1-3H3/b33-18-/t29-/m1/s1
InChIKeyMVXTYIHDSBYCAV-TVGVDIJASA-N
MW601.66 g/mol
LogP6.87
Rot. Bonds8

About (2Z,9R)-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-9-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

(2Z,9R)-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-9-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (PubChem CID 125122631) has the molecular formula C37H31NO7 and a molecular weight of 601.66 g/mol. Its IUPAC name is (2Z,9R)-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-9-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

Molecular Properties

Compound Name(2Z,9R)-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-9-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
PubChem CID125122631
Molecular FormulaC37H31NO7
Molecular Weight601.66 g/mol
Exact Mass601.21
IUPAC Name(2Z,9R)-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-9-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESCOc1ccc(CCOc2ccccc2[C@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2cn(C)c3ccc(OC)cc23)C4=O)cc1
InChIInChI=1S/C37H31NO7/c1-38-21-23(28-19-25(42-3)12-14-30(28)38)18-33-36(40)27-13-15-32-35(37(27)45-33)29(20-34(39)44-32)26-6-4-5-7-31(26)43-17-16-22-8-10-24(41-2)11-9-22/h4-15,18-19,21,29H,16-17,20H2,1-3H3/b33-18-/t29-/m1/s1
InChIKeyMVXTYIHDSBYCAV-TVGVDIJASA-N
XLogP6.87
TPSA85.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.66
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,9R)-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-9-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The IUPAC name of (2Z,9R)-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-9-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (CID 125122631) is (2Z,9R)-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-9-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.
What is the SMILES notation for (2Z,9R)-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-9-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The canonical SMILES for (2Z,9R)-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-9-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is COc1ccc(CCOc2ccccc2[C@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2cn(C)c3ccc(OC)cc23)C4=O)cc1.
What is the InChIKey of (2Z,9R)-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-9-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The InChIKey is MVXTYIHDSBYCAV-TVGVDIJASA-N. The full InChI is InChI=1S/C37H31NO7/c1-38-21-23(28-19-25(42-3)12-14-30(28)38)18-33-36(40)27-13-15-32-35(37(27)45-33)29(20-34(39)44-32)26-6-4-5-7-31(26)43-17-16-22-8-10-24(41-2)11-9-22/h4-15,18-19,21,29H,16-17,20H2,1-3H3/b33-18-/t29-/m1/s1.
What are the key properties of (2Z,9R)-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-9-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
(2Z,9R)-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-9-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione has a molecular weight of 601.66 g/mol, XLogP of 6.87, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,9R)-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-9-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is sourced from PubChem (CID 125122631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).