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

C24H20N2O2 — CID 2906777

IUPAC4-[bis(1H-indol-3-yl)methyl]-2-methoxyphenol
SMILESCOc1cc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)ccc1O
InChIInChI=1S/C24H20N2O2/c1-28-23-12-15(10-11-22(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
InChIKeyXVDSDTVEVIGEEH-UHFFFAOYSA-N
MW368.44 g/mol
LogP5.54
Rot. Bonds4

About 4-[bis(1H-indol-3-yl)methyl]-2-methoxyphenol

4-[bis(1H-indol-3-yl)methyl]-2-methoxyphenol (PubChem CID 2906777) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-[bis(1H-indol-3-yl)methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[bis(1H-indol-3-yl)methyl]-2-methoxyphenol
PubChem CID2906777
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name4-[bis(1H-indol-3-yl)methyl]-2-methoxyphenol
SMILESCOc1cc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)ccc1O
InChIInChI=1S/C24H20N2O2/c1-28-23-12-15(10-11-22(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
InChIKeyXVDSDTVEVIGEEH-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

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Frequently Asked Questions

What is the IUPAC name of 4-[bis(1H-indol-3-yl)methyl]-2-methoxyphenol?
The IUPAC name of 4-[bis(1H-indol-3-yl)methyl]-2-methoxyphenol (CID 2906777) is 4-[bis(1H-indol-3-yl)methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[bis(1H-indol-3-yl)methyl]-2-methoxyphenol?
The canonical SMILES for 4-[bis(1H-indol-3-yl)methyl]-2-methoxyphenol is COc1cc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)ccc1O.
What is the InChIKey of 4-[bis(1H-indol-3-yl)methyl]-2-methoxyphenol?
The InChIKey is XVDSDTVEVIGEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2/c1-28-23-12-15(10-11-22(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 4-[bis(1H-indol-3-yl)methyl]-2-methoxyphenol?
4-[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 4-[bis(1H-indol-3-yl)methyl]-2-methoxyphenol is sourced from PubChem (CID 2906777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).