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

C18H16N2O — CID 164522936

IUPAC1-[(5-methyl-1H-indol-3-yl)methyl]indol-5-ol
SMILESCc1ccc2[nH]cc(Cn3ccc4cc(O)ccc43)c2c1
InChIInChI=1S/C18H16N2O/c1-12-2-4-17-16(8-12)14(10-19-17)11-20-7-6-13-9-15(21)3-5-18(13)20/h2-10,19,21H,11H2,1H3
InChIKeyPQCZTIQNUQVCJX-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.18
Rot. Bonds2

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

1-[(5-methyl-1H-indol-3-yl)methyl]indol-5-ol (PubChem CID 164522936) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[(5-methyl-1H-indol-3-yl)methyl]indol-5-ol.

Molecular Properties

Compound Name1-[(5-methyl-1H-indol-3-yl)methyl]indol-5-ol
PubChem CID164522936
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name1-[(5-methyl-1H-indol-3-yl)methyl]indol-5-ol
SMILESCc1ccc2[nH]cc(Cn3ccc4cc(O)ccc43)c2c1
InChIInChI=1S/C18H16N2O/c1-12-2-4-17-16(8-12)14(10-19-17)11-20-7-6-13-9-15(21)3-5-18(13)20/h2-10,19,21H,11H2,1H3
InChIKeyPQCZTIQNUQVCJX-UHFFFAOYSA-N
XLogP4.18
TPSA40.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-1-(naphthalen-1-ylmethyl)indole
CID 110831307
1-[(1-methylindol-3-yl)methyl]indol-5-ol
CID 164522921
5-methyl-3-(piperazin-1-ylmethyl)-1H-indole
CID 82277559
3-[(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 15949127
5-methyl-4-[(5-methylindol-1-yl)methyl]thiophene-2-carboxylic acid
CID 80731244
3-propyl-1H-indol-5-ol
CID 15366338
3-(piperazin-1-ylmethyl)-1H-indol-5-ol
CID 117174988
3-(1,4-diazepan-1-ylmethyl)-5-methyl-1H-indole
CID 82497500
1-(2-methoxyethyl)indol-5-ol
CID 138679498
1-pentylindol-5-ol
CID 142952081
[4-fluoro-2-[(5-methylindol-1-yl)methyl]phenyl]methanamine
CID 64764833
1-[(2-chloro-5-fluorophenyl)methyl]-5-methylindole
CID 102620300

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1H-indol-3-yl)methyl]indol-5-ol?
The IUPAC name of 1-[(5-methyl-1H-indol-3-yl)methyl]indol-5-ol (CID 164522936) is 1-[(5-methyl-1H-indol-3-yl)methyl]indol-5-ol.
What is the SMILES notation for 1-[(5-methyl-1H-indol-3-yl)methyl]indol-5-ol?
The canonical SMILES for 1-[(5-methyl-1H-indol-3-yl)methyl]indol-5-ol is Cc1ccc2[nH]cc(Cn3ccc4cc(O)ccc43)c2c1.
What is the InChIKey of 1-[(5-methyl-1H-indol-3-yl)methyl]indol-5-ol?
The InChIKey is PQCZTIQNUQVCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-12-2-4-17-16(8-12)14(10-19-17)11-20-7-6-13-9-15(21)3-5-18(13)20/h2-10,19,21H,11H2,1H3.
What are the key properties of 1-[(5-methyl-1H-indol-3-yl)methyl]indol-5-ol?
1-[(5-methyl-1H-indol-3-yl)methyl]indol-5-ol has a molecular weight of 276.34 g/mol, XLogP of 4.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1H-indol-3-yl)methyl]indol-5-ol is sourced from PubChem (CID 164522936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).