2-(5-phenylmethoxy-1H-indol-3-yl)ethanol

C17H17NO2 — CID 744849

IUPAC2-(5-phenylmethoxy-1H-indol-3-yl)ethanol
SMILESOCCc1c[nH]c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C17H17NO2/c19-9-8-14-11-18-17-7-6-15(10-16(14)17)20-12-13-4-2-1-3-5-13/h1-7,10-11,18-19H,8-9,12H2
InChIKeySQAUQUOZCKVQND-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.28
Rot. Bonds5

About 2-(5-phenylmethoxy-1H-indol-3-yl)ethanol

2-(5-phenylmethoxy-1H-indol-3-yl)ethanol (PubChem CID 744849) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(5-phenylmethoxy-1H-indol-3-yl)ethanol.

Molecular Properties

Compound Name2-(5-phenylmethoxy-1H-indol-3-yl)ethanol
PubChem CID744849
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name2-(5-phenylmethoxy-1H-indol-3-yl)ethanol
SMILESOCCc1c[nH]c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C17H17NO2/c19-9-8-14-11-18-17-7-6-15(10-16(14)17)20-12-13-4-2-1-3-5-13/h1-7,10-11,18-19H,8-9,12H2
InChIKeySQAUQUOZCKVQND-UHFFFAOYSA-N
XLogP3.28
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-phenylmethoxy-1H-indol-3-yl)ethanol?
The IUPAC name of 2-(5-phenylmethoxy-1H-indol-3-yl)ethanol (CID 744849) is 2-(5-phenylmethoxy-1H-indol-3-yl)ethanol.
What is the SMILES notation for 2-(5-phenylmethoxy-1H-indol-3-yl)ethanol?
The canonical SMILES for 2-(5-phenylmethoxy-1H-indol-3-yl)ethanol is OCCc1c[nH]c2ccc(OCc3ccccc3)cc12.
What is the InChIKey of 2-(5-phenylmethoxy-1H-indol-3-yl)ethanol?
The InChIKey is SQAUQUOZCKVQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c19-9-8-14-11-18-17-7-6-15(10-16(14)17)20-12-13-4-2-1-3-5-13/h1-7,10-11,18-19H,8-9,12H2.
What are the key properties of 2-(5-phenylmethoxy-1H-indol-3-yl)ethanol?
2-(5-phenylmethoxy-1H-indol-3-yl)ethanol has a molecular weight of 267.33 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenylmethoxy-1H-indol-3-yl)ethanol is sourced from PubChem (CID 744849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).