1H-Indole, 3,3'-methylenebis[5-methoxy-

C19H18N2O2 — CID 9944370

IUPAC5-methoxy-3-[(5-methoxy-1H-indol-3-yl)methyl]-1H-indole
SMILESCOC1=CC2=C(C=C1)NC=C2CC3=CNC4=C3C=C(C=C4)OC
InChIInChI=1S/C19H18N2O2/c1-22-14-3-5-18-16(8-14)12(10-20-18)7-13-11-21-19-6-4-15(23-2)9-17(13)19/h3-6,8-11,20-21H,7H2,1-2H3
InChIKeyJTPGESPWPBXUEF-UHFFFAOYSA-N
MW306.40 g/mol
LogP4.00
Rot. Bonds4

About 1H-Indole, 3,3'-methylenebis[5-methoxy-

1H-Indole, 3,3'-methylenebis[5-methoxy- (PubChem CID 9944370) has the molecular formula C19H18N2O2 and a molecular weight of 306.40 g/mol. Its IUPAC name is 5-methoxy-3-[(5-methoxy-1H-indol-3-yl)methyl]-1H-indole.

Molecular Properties

Compound Name1H-Indole, 3,3'-methylenebis[5-methoxy-
PubChem CID9944370
Molecular FormulaC19H18N2O2
Molecular Weight306.40 g/mol
Exact Mass306.14
IUPAC Name5-methoxy-3-[(5-methoxy-1H-indol-3-yl)methyl]-1H-indole
SMILESCOC1=CC2=C(C=C1)NC=C2CC3=CNC4=C3C=C(C=C4)OC
InChIInChI=1S/C19H18N2O2/c1-22-14-3-5-18-16(8-14)12(10-20-18)7-13-11-21-19-6-4-15(23-2)9-17(13)19/h3-6,8-11,20-21H,7H2,1-2H3
InChIKeyJTPGESPWPBXUEF-UHFFFAOYSA-N
XLogP4.00
TPSA50.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity369

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-Indole, 3,3'-methylenebis[5-methoxy-?
The IUPAC name of 1H-Indole, 3,3'-methylenebis[5-methoxy- (CID 9944370) is 5-methoxy-3-[(5-methoxy-1H-indol-3-yl)methyl]-1H-indole.
What is the SMILES notation for 1H-Indole, 3,3'-methylenebis[5-methoxy-?
The canonical SMILES for 1H-Indole, 3,3'-methylenebis[5-methoxy- is COC1=CC2=C(C=C1)NC=C2CC3=CNC4=C3C=C(C=C4)OC.
What is the InChIKey of 1H-Indole, 3,3'-methylenebis[5-methoxy-?
The InChIKey is JTPGESPWPBXUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-22-14-3-5-18-16(8-14)12(10-20-18)7-13-11-21-19-6-4-15(23-2)9-17(13)19/h3-6,8-11,20-21H,7H2,1-2H3.
What are the key properties of 1H-Indole, 3,3'-methylenebis[5-methoxy-?
1H-Indole, 3,3'-methylenebis[5-methoxy- has a molecular weight of 306.40 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-Indole, 3,3'-methylenebis[5-methoxy- is sourced from PubChem (CID 9944370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).