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2-(4-phenylmethoxy-1H-indol-2-yl)ethanol

C17H17NO2 — CID 152723537

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(4-phenylmethoxy-1H-indol-2-yl)ethanol
SMILESOCCc1cc2c(OCc3ccccc3)cccc2[nH]1
InChIInChI=1S/C17H17NO2/c19-10-9-14-11-15-16(18-14)7-4-8-17(15)20-12-13-5-2-1-3-6-13/h1-8,11,18-19H,9-10,12H2
InChIKeyZWCSHISKPPYDNK-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.28
Rot. Bonds5

About 2-(4-phenylmethoxy-1H-indol-2-yl)ethanol

2-(4-phenylmethoxy-1H-indol-2-yl)ethanol (PubChem CID 152723537) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(4-phenylmethoxy-1H-indol-2-yl)ethanol.

Molecular Properties

Compound Name2-(4-phenylmethoxy-1H-indol-2-yl)ethanol
PubChem CID152723537
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name2-(4-phenylmethoxy-1H-indol-2-yl)ethanol
SMILESOCCc1cc2c(OCc3ccccc3)cccc2[nH]1
InChIInChI=1S/C17H17NO2/c19-10-9-14-11-15-16(18-14)7-4-8-17(15)20-12-13-5-2-1-3-6-13/h1-8,11,18-19H,9-10,12H2
InChIKeyZWCSHISKPPYDNK-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-(4-phenylmethoxy-1H-indol-2-yl)ethanol?
The IUPAC name of 2-(4-phenylmethoxy-1H-indol-2-yl)ethanol (CID 152723537) is 2-(4-phenylmethoxy-1H-indol-2-yl)ethanol.
What is the SMILES notation for 2-(4-phenylmethoxy-1H-indol-2-yl)ethanol?
The canonical SMILES for 2-(4-phenylmethoxy-1H-indol-2-yl)ethanol is OCCc1cc2c(OCc3ccccc3)cccc2[nH]1.
What is the InChIKey of 2-(4-phenylmethoxy-1H-indol-2-yl)ethanol?
The InChIKey is ZWCSHISKPPYDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c19-10-9-14-11-15-16(18-14)7-4-8-17(15)20-12-13-5-2-1-3-6-13/h1-8,11,18-19H,9-10,12H2.
What are the key properties of 2-(4-phenylmethoxy-1H-indol-2-yl)ethanol?
2-(4-phenylmethoxy-1H-indol-2-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-(4-phenylmethoxy-1H-indol-2-yl)ethanol is sourced from PubChem (CID 152723537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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