2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-ol

C16H21NO2 — CID 84637812

IUPAC2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-ol
SMILESCOc1ccc2[nH]c(C)c(CC3CCCC3O)c2c1
InChIInChI=1S/C16H21NO2/c1-10-13(8-11-4-3-5-16(11)18)14-9-12(19-2)6-7-15(14)17-10/h6-7,9,11,16-18H,3-5,8H2,1-2H3
InChIKeyGBQYFUJVYSKKQC-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.19
Rot. Bonds3

About 2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-ol

2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-ol (PubChem CID 84637812) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-ol
PubChem CID84637812
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-ol
SMILESCOc1ccc2[nH]c(C)c(CC3CCCC3O)c2c1
InChIInChI=1S/C16H21NO2/c1-10-13(8-11-4-3-5-16(11)18)14-9-12(19-2)6-7-15(14)17-10/h6-7,9,11,16-18H,3-5,8H2,1-2H3
InChIKeyGBQYFUJVYSKKQC-UHFFFAOYSA-N
XLogP3.19
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.19
H-Bond Donors ≤ 52
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-[(6-methoxy-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-amine
CID 84637405
2-[(6-fluoro-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-ol
CID 84632825
N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]cyclobutanecarboxamide
CID 113086137
N-cyclohexyl-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212089
1-[2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 84582403
3-[2-(4-cyclohexylpiperidin-1-yl)ethyl]-5-methoxy-2-methyl-1H-indole
CID 21313343
N-[3-(5-methoxy-2-methyl-1H-indol-3-yl)propyl]cyclopropanamine
CID 98032942
N-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]propan-2-amine
CID 65335671
5-methoxy-2-methyl-3-prop-2-enyl-1H-indole
CID 156558108
2-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 3586267
[2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 84580768
5-methoxy-2-methyl-3-[2-(2-methylpiperidin-1-yl)ethyl]-1H-indole;hydrochloride
CID 21313363

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-ol?
The IUPAC name of 2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-ol (CID 84637812) is 2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-ol is COc1ccc2[nH]c(C)c(CC3CCCC3O)c2c1.
What is the InChIKey of 2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-ol?
The InChIKey is GBQYFUJVYSKKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-10-13(8-11-4-3-5-16(11)18)14-9-12(19-2)6-7-15(14)17-10/h6-7,9,11,16-18H,3-5,8H2,1-2H3.
What are the key properties of 2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-ol?
2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-ol has a molecular weight of 259.35 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-ol is sourced from PubChem (CID 84637812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).