4-[bis(1-methylindol-3-yl)methyl]phenol

C25H22N2O — CID 2949399

IUPAC4-[bis(1-methylindol-3-yl)methyl]phenol
SMILESCn1cc(C(c2ccc(O)cc2)c2cn(C)c3ccccc23)c2ccccc21
InChIInChI=1S/C25H22N2O/c1-26-15-21(19-7-3-5-9-23(19)26)25(17-11-13-18(28)14-12-17)22-16-27(2)24-10-6-4-8-20(22)24/h3-16,25,28H,1-2H3
InChIKeyMWLBYSOSFROPIL-UHFFFAOYSA-N
MW366.46 g/mol
LogP5.56
Rot. Bonds3

About 4-[bis(1-methylindol-3-yl)methyl]phenol

4-[bis(1-methylindol-3-yl)methyl]phenol (PubChem CID 2949399) has the molecular formula C25H22N2O and a molecular weight of 366.46 g/mol. Its IUPAC name is 4-[bis(1-methylindol-3-yl)methyl]phenol.

Molecular Properties

Compound Name4-[bis(1-methylindol-3-yl)methyl]phenol
PubChem CID2949399
Molecular FormulaC25H22N2O
Molecular Weight366.46 g/mol
Exact Mass366.17
IUPAC Name4-[bis(1-methylindol-3-yl)methyl]phenol
SMILESCn1cc(C(c2ccc(O)cc2)c2cn(C)c3ccccc23)c2ccccc21
InChIInChI=1S/C25H22N2O/c1-26-15-21(19-7-3-5-9-23(19)26)25(17-11-13-18(28)14-12-17)22-16-27(2)24-10-6-4-8-20(22)24/h3-16,25,28H,1-2H3
InChIKeyMWLBYSOSFROPIL-UHFFFAOYSA-N
XLogP5.56
TPSA30.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[bis(1-methylindol-3-yl)methyl]phenol?
The IUPAC name of 4-[bis(1-methylindol-3-yl)methyl]phenol (CID 2949399) is 4-[bis(1-methylindol-3-yl)methyl]phenol.
What is the SMILES notation for 4-[bis(1-methylindol-3-yl)methyl]phenol?
The canonical SMILES for 4-[bis(1-methylindol-3-yl)methyl]phenol is Cn1cc(C(c2ccc(O)cc2)c2cn(C)c3ccccc23)c2ccccc21.
What is the InChIKey of 4-[bis(1-methylindol-3-yl)methyl]phenol?
The InChIKey is MWLBYSOSFROPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O/c1-26-15-21(19-7-3-5-9-23(19)26)25(17-11-13-18(28)14-12-17)22-16-27(2)24-10-6-4-8-20(22)24/h3-16,25,28H,1-2H3.
What are the key properties of 4-[bis(1-methylindol-3-yl)methyl]phenol?
4-[bis(1-methylindol-3-yl)methyl]phenol has a molecular weight of 366.46 g/mol, XLogP of 5.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(1-methylindol-3-yl)methyl]phenol is sourced from PubChem (CID 2949399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).