2-[1-(2,3-dihydroindol-1-yl)ethyl]-5-methoxyphenol

C17H19NO2 — CID 82974186

IUPAC2-[1-(2,3-dihydroindol-1-yl)ethyl]-5-methoxyphenol
SMILESCOc1ccc(C(C)N2CCc3ccccc32)c(O)c1
InChIInChI=1S/C17H19NO2/c1-12(15-8-7-14(20-2)11-17(15)19)18-10-9-13-5-3-4-6-16(13)18/h3-8,11-12,19H,9-10H2,1-2H3
InChIKeyOTUFNMBRQCRTHE-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.52
Rot. Bonds3

About 2-[1-(2,3-dihydroindol-1-yl)ethyl]-5-methoxyphenol

2-[1-(2,3-dihydroindol-1-yl)ethyl]-5-methoxyphenol (PubChem CID 82974186) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[1-(2,3-dihydroindol-1-yl)ethyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[1-(2,3-dihydroindol-1-yl)ethyl]-5-methoxyphenol
PubChem CID82974186
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-[1-(2,3-dihydroindol-1-yl)ethyl]-5-methoxyphenol
SMILESCOc1ccc(C(C)N2CCc3ccccc32)c(O)c1
InChIInChI=1S/C17H19NO2/c1-12(15-8-7-14(20-2)11-17(15)19)18-10-9-13-5-3-4-6-16(13)18/h3-8,11-12,19H,9-10H2,1-2H3
InChIKeyOTUFNMBRQCRTHE-UHFFFAOYSA-N
XLogP3.52
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-[1-(2,3-dihydroindol-1-yl)ethyl]phenol
CID 82974404
2-[1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]phenol
CID 82980720
5-methoxy-2-(1-pyrrolidin-1-ylethyl)phenol
CID 82974711
2-[1-(2,2-dimethylpyrrolidin-1-yl)ethyl]-5-methoxyphenol
CID 82979886
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-methoxyphenol
CID 82975068
3-(2,3-dihydroindol-1-yl)-1-(2,4-dimethoxyphenyl)propan-1-ol
CID 82074098
5-methoxy-2-[1-(3,4,5-trimethylpiperazin-1-yl)ethyl]phenol
CID 114541116
2-[1-(4-tert-butylpiperidin-1-yl)ethyl]-5-methoxyphenol
CID 82958093
1-butan-2-yl-5-methoxy-2,3-dihydroindole
CID 134286495
5-methyl-2-[1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]phenol
CID 82965331
1-butan-2-yl-6-methoxy-2,3-dihydroindole
CID 134369277
2-[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-5-methoxyphenol
CID 82980642

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dihydroindol-1-yl)ethyl]-5-methoxyphenol?
The IUPAC name of 2-[1-(2,3-dihydroindol-1-yl)ethyl]-5-methoxyphenol (CID 82974186) is 2-[1-(2,3-dihydroindol-1-yl)ethyl]-5-methoxyphenol.
What is the SMILES notation for 2-[1-(2,3-dihydroindol-1-yl)ethyl]-5-methoxyphenol?
The canonical SMILES for 2-[1-(2,3-dihydroindol-1-yl)ethyl]-5-methoxyphenol is COc1ccc(C(C)N2CCc3ccccc32)c(O)c1.
What is the InChIKey of 2-[1-(2,3-dihydroindol-1-yl)ethyl]-5-methoxyphenol?
The InChIKey is OTUFNMBRQCRTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-12(15-8-7-14(20-2)11-17(15)19)18-10-9-13-5-3-4-6-16(13)18/h3-8,11-12,19H,9-10H2,1-2H3.
What are the key properties of 2-[1-(2,3-dihydroindol-1-yl)ethyl]-5-methoxyphenol?
2-[1-(2,3-dihydroindol-1-yl)ethyl]-5-methoxyphenol has a molecular weight of 269.34 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dihydroindol-1-yl)ethyl]-5-methoxyphenol is sourced from PubChem (CID 82974186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).