5-[bis(1H-indol-3-yl)methyl]-2-methoxyphenol

C24H20N2O2 — CID 7118245

IUPAC5-[bis(1H-indol-3-yl)methyl]-2-methoxyphenol
SMILESCOc1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1O
InChIInChI=1S/C24H20N2O2/c1-28-23-11-10-15(12-22(23)27)24(18-13-25-20-8-4-2-6-16(18)20)19-14-26-21-9-5-3-7-17(19)21/h2-14,24-27H,1H3
InChIKeyCWMPUSKUSXTPAT-UHFFFAOYSA-N
MW368.44 g/mol
LogP5.54
Rot. Bonds4

About 5-[bis(1H-indol-3-yl)methyl]-2-methoxyphenol

5-[bis(1H-indol-3-yl)methyl]-2-methoxyphenol (PubChem CID 7118245) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 5-[bis(1H-indol-3-yl)methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[bis(1H-indol-3-yl)methyl]-2-methoxyphenol
PubChem CID7118245
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name5-[bis(1H-indol-3-yl)methyl]-2-methoxyphenol
SMILESCOc1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1O
InChIInChI=1S/C24H20N2O2/c1-28-23-11-10-15(12-22(23)27)24(18-13-25-20-8-4-2-6-16(18)20)19-14-26-21-9-5-3-7-17(19)21/h2-14,24-27H,1H3
InChIKeyCWMPUSKUSXTPAT-UHFFFAOYSA-N
XLogP5.54
TPSA61.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.44
LogP ≤ 55.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 5-[bis(1H-indol-3-yl)methyl]-2-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[bis(1H-indol-3-yl)methyl]-2-methoxyphenol?
The IUPAC name of 5-[bis(1H-indol-3-yl)methyl]-2-methoxyphenol (CID 7118245) is 5-[bis(1H-indol-3-yl)methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[bis(1H-indol-3-yl)methyl]-2-methoxyphenol?
The canonical SMILES for 5-[bis(1H-indol-3-yl)methyl]-2-methoxyphenol is COc1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1O.
What is the InChIKey of 5-[bis(1H-indol-3-yl)methyl]-2-methoxyphenol?
The InChIKey is CWMPUSKUSXTPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2/c1-28-23-11-10-15(12-22(23)27)24(18-13-25-20-8-4-2-6-16(18)20)19-14-26-21-9-5-3-7-17(19)21/h2-14,24-27H,1H3.
What are the key properties of 5-[bis(1H-indol-3-yl)methyl]-2-methoxyphenol?
5-[bis(1H-indol-3-yl)methyl]-2-methoxyphenol has a molecular weight of 368.44 g/mol, XLogP of 5.54, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(1H-indol-3-yl)methyl]-2-methoxyphenol is sourced from PubChem (CID 7118245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).