[1-methyl-2-(2-phenylethyl)indol-3-yl]methanol

C18H19NO — CID 174540584

IUPAC[1-methyl-2-(2-phenylethyl)indol-3-yl]methanol
SMILESCn1c(CCc2ccccc2)c(CO)c2ccccc21
InChIInChI=1S/C18H19NO/c1-19-17-10-6-5-9-15(17)16(13-20)18(19)12-11-14-7-3-2-4-8-14/h2-10,20H,11-13H2,1H3
InChIKeyPTNHWWVRZDFKHP-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.46
Rot. Bonds4

About [1-methyl-2-(2-phenylethyl)indol-3-yl]methanol

[1-methyl-2-(2-phenylethyl)indol-3-yl]methanol (PubChem CID 174540584) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is [1-methyl-2-(2-phenylethyl)indol-3-yl]methanol.

Molecular Properties

Compound Name[1-methyl-2-(2-phenylethyl)indol-3-yl]methanol
PubChem CID174540584
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name[1-methyl-2-(2-phenylethyl)indol-3-yl]methanol
SMILESCn1c(CCc2ccccc2)c(CO)c2ccccc21
InChIInChI=1S/C18H19NO/c1-19-17-10-6-5-9-15(17)16(13-20)18(19)12-11-14-7-3-2-4-8-14/h2-10,20H,11-13H2,1H3
InChIKeyPTNHWWVRZDFKHP-UHFFFAOYSA-N
XLogP3.46
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-[3-(hydroxymethyl)-1-methylindol-2-yl]ethanol
CID 12666442
[1-methyl-2-(2-thiophen-2-ylethyl)indol-3-yl]methanamine
CID 22689319
1-methyl-2-(2-phenylethyl)quinolin-4-one
CID 165177826
methyl 3-(2-methoxy-2-oxoethyl)-2-(2-phenylethyl)indole-1-carboxylate
CID 118386708
2-(1-methyl-3-methylsulfanylindol-2-yl)-N-(2-phenylethyl)acetamide
CID 674273
N-[(1,3-dimethylindol-2-yl)methyl]-1-phenylmethanamine
CID 107234543
2-(2-ethyl-1-methylindol-3-yl)-N,N-dimethylethanamine
CID 45095754
(2-chloro-1-ethylindol-3-yl)methanol
CID 82268356
(2-methyl-1-propylindol-3-yl)methanol
CID 91556176
benzene;2-phenylethylbenzene
CID 18982764
2-butyl-1-methylindole-3-carboxylic acid
CID 18505279
methyl 1-methyl-2-propylindole-3-carboxylate
CID 102080307

Frequently Asked Questions

What is the IUPAC name of [1-methyl-2-(2-phenylethyl)indol-3-yl]methanol?
The IUPAC name of [1-methyl-2-(2-phenylethyl)indol-3-yl]methanol (CID 174540584) is [1-methyl-2-(2-phenylethyl)indol-3-yl]methanol.
What is the SMILES notation for [1-methyl-2-(2-phenylethyl)indol-3-yl]methanol?
The canonical SMILES for [1-methyl-2-(2-phenylethyl)indol-3-yl]methanol is Cn1c(CCc2ccccc2)c(CO)c2ccccc21.
What is the InChIKey of [1-methyl-2-(2-phenylethyl)indol-3-yl]methanol?
The InChIKey is PTNHWWVRZDFKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-19-17-10-6-5-9-15(17)16(13-20)18(19)12-11-14-7-3-2-4-8-14/h2-10,20H,11-13H2,1H3.
What are the key properties of [1-methyl-2-(2-phenylethyl)indol-3-yl]methanol?
[1-methyl-2-(2-phenylethyl)indol-3-yl]methanol has a molecular weight of 265.36 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-2-(2-phenylethyl)indol-3-yl]methanol is sourced from PubChem (CID 174540584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).