[1-(1H-indol-3-ylmethyl)indol-3-yl]methanol

C18H16N2O — CID 86183911

IUPAC[1-(1H-indol-3-ylmethyl)indol-3-yl]methanol
SMILESOCc1cn(Cc2c[nH]c3ccccc23)c2ccccc12
InChIInChI=1S/C18H16N2O/c21-12-14-11-20(18-8-4-2-6-16(14)18)10-13-9-19-17-7-3-1-5-15(13)17/h1-9,11,19,21H,10,12H2
InChIKeyNMKXQWJKPQWMOM-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.66
Rot. Bonds3

About [1-(1H-indol-3-ylmethyl)indol-3-yl]methanol

[1-(1H-indol-3-ylmethyl)indol-3-yl]methanol (PubChem CID 86183911) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is [1-(1H-indol-3-ylmethyl)indol-3-yl]methanol.

Molecular Properties

Compound Name[1-(1H-indol-3-ylmethyl)indol-3-yl]methanol
PubChem CID86183911
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name[1-(1H-indol-3-ylmethyl)indol-3-yl]methanol
SMILESOCc1cn(Cc2c[nH]c3ccccc23)c2ccccc12
InChIInChI=1S/C18H16N2O/c21-12-14-11-20(18-8-4-2-6-16(14)18)10-13-9-19-17-7-3-1-5-15(13)17/h1-9,11,19,21H,10,12H2
InChIKeyNMKXQWJKPQWMOM-UHFFFAOYSA-N
XLogP3.66
TPSA40.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1H-indol-3-ylmethyl)indole
CID 15949032
(2R)-2-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylamino]-3-(1H-indol-3-yl)propanoic acid
CID 124780985
[1-[(2,5-dichlorophenyl)methyl]indol-3-yl]methanol
CID 66399928
N-[[1-[(2-chloro-4-fluorophenyl)methyl]indol-3-yl]methyl]-2-(1H-indol-3-yl)ethanamine
CID 124783349
2-(1H-indol-3-yl)ethane-1,1-diol
CID 21400411
3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738
N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]-2-(1H-indol-3-yl)ethanamine
CID 124895316
2-[3-(hydroxymethyl)indol-1-yl]acetic acid
CID 15089421
1-(1H-indol-3-ylmethyl)pyrimidine-2,4-dione
CID 4297693
[1-[(5-ethylthiophen-2-yl)methyl]indol-3-yl]methanol
CID 66397807
[1-[(5-chloro-2-methoxyphenyl)methyl]indol-3-yl]methanol
CID 66398877
[1-[(5-bromo-2-methoxyphenyl)methyl]indol-3-yl]methanol
CID 66400336

Frequently Asked Questions

What is the IUPAC name of [1-(1H-indol-3-ylmethyl)indol-3-yl]methanol?
The IUPAC name of [1-(1H-indol-3-ylmethyl)indol-3-yl]methanol (CID 86183911) is [1-(1H-indol-3-ylmethyl)indol-3-yl]methanol.
What is the SMILES notation for [1-(1H-indol-3-ylmethyl)indol-3-yl]methanol?
The canonical SMILES for [1-(1H-indol-3-ylmethyl)indol-3-yl]methanol is OCc1cn(Cc2c[nH]c3ccccc23)c2ccccc12.
What is the InChIKey of [1-(1H-indol-3-ylmethyl)indol-3-yl]methanol?
The InChIKey is NMKXQWJKPQWMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c21-12-14-11-20(18-8-4-2-6-16(14)18)10-13-9-19-17-7-3-1-5-15(13)17/h1-9,11,19,21H,10,12H2.
What are the key properties of [1-(1H-indol-3-ylmethyl)indol-3-yl]methanol?
[1-(1H-indol-3-ylmethyl)indol-3-yl]methanol has a molecular weight of 276.34 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-indol-3-ylmethyl)indol-3-yl]methanol is sourced from PubChem (CID 86183911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).