1-[(1-methylindol-3-yl)methyl]indol-5-ol

C18H16N2O — CID 164522921

IUPAC1-[(1-methylindol-3-yl)methyl]indol-5-ol
SMILESCn1cc(Cn2ccc3cc(O)ccc32)c2ccccc21
InChIInChI=1S/C18H16N2O/c1-19-11-14(16-4-2-3-5-18(16)19)12-20-9-8-13-10-15(21)6-7-17(13)20/h2-11,21H,12H2,1H3
InChIKeyILSRHZMACWCJSA-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.89
Rot. Bonds2

About 1-[(1-methylindol-3-yl)methyl]indol-5-ol

1-[(1-methylindol-3-yl)methyl]indol-5-ol (PubChem CID 164522921) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[(1-methylindol-3-yl)methyl]indol-5-ol.

Molecular Properties

Compound Name1-[(1-methylindol-3-yl)methyl]indol-5-ol
PubChem CID164522921
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name1-[(1-methylindol-3-yl)methyl]indol-5-ol
SMILESCn1cc(Cn2ccc3cc(O)ccc32)c2ccccc21
InChIInChI=1S/C18H16N2O/c1-19-11-14(16-4-2-3-5-18(16)19)12-20-9-8-13-10-15(21)6-7-17(13)20/h2-11,21H,12H2,1H3
InChIKeyILSRHZMACWCJSA-UHFFFAOYSA-N
XLogP3.89
TPSA30.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylindol-3-yl)methyl]indol-5-ol?
The IUPAC name of 1-[(1-methylindol-3-yl)methyl]indol-5-ol (CID 164522921) is 1-[(1-methylindol-3-yl)methyl]indol-5-ol.
What is the SMILES notation for 1-[(1-methylindol-3-yl)methyl]indol-5-ol?
The canonical SMILES for 1-[(1-methylindol-3-yl)methyl]indol-5-ol is Cn1cc(Cn2ccc3cc(O)ccc32)c2ccccc21.
What is the InChIKey of 1-[(1-methylindol-3-yl)methyl]indol-5-ol?
The InChIKey is ILSRHZMACWCJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-19-11-14(16-4-2-3-5-18(16)19)12-20-9-8-13-10-15(21)6-7-17(13)20/h2-11,21H,12H2,1H3.
What are the key properties of 1-[(1-methylindol-3-yl)methyl]indol-5-ol?
1-[(1-methylindol-3-yl)methyl]indol-5-ol has a molecular weight of 276.34 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylindol-3-yl)methyl]indol-5-ol is sourced from PubChem (CID 164522921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).