2-naphthalen-1-yl-2-(1H-pyrrol-2-yl)ethanol

C16H15NO — CID 135039272

IUPAC2-naphthalen-1-yl-2-(1H-pyrrol-2-yl)ethanol
SMILESOCC(c1ccc[nH]1)c1cccc2ccccc12
InChIInChI=1S/C16H15NO/c18-11-15(16-9-4-10-17-16)14-8-3-6-12-5-1-2-7-13(12)14/h1-10,15,17-18H,11H2
InChIKeyJEFMTOOKWSCNQL-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.29
Rot. Bonds3

About 2-naphthalen-1-yl-2-(1H-pyrrol-2-yl)ethanol

2-naphthalen-1-yl-2-(1H-pyrrol-2-yl)ethanol (PubChem CID 135039272) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-naphthalen-1-yl-2-(1H-pyrrol-2-yl)ethanol.

Molecular Properties

Compound Name2-naphthalen-1-yl-2-(1H-pyrrol-2-yl)ethanol
PubChem CID135039272
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name2-naphthalen-1-yl-2-(1H-pyrrol-2-yl)ethanol
SMILESOCC(c1ccc[nH]1)c1cccc2ccccc12
InChIInChI=1S/C16H15NO/c18-11-15(16-9-4-10-17-16)14-8-3-6-12-5-1-2-7-13(12)14/h1-10,15,17-18H,11H2
InChIKeyJEFMTOOKWSCNQL-UHFFFAOYSA-N
XLogP3.29
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-2-(1H-pyrrol-2-yl)ethanol?
The IUPAC name of 2-naphthalen-1-yl-2-(1H-pyrrol-2-yl)ethanol (CID 135039272) is 2-naphthalen-1-yl-2-(1H-pyrrol-2-yl)ethanol.
What is the SMILES notation for 2-naphthalen-1-yl-2-(1H-pyrrol-2-yl)ethanol?
The canonical SMILES for 2-naphthalen-1-yl-2-(1H-pyrrol-2-yl)ethanol is OCC(c1ccc[nH]1)c1cccc2ccccc12.
What is the InChIKey of 2-naphthalen-1-yl-2-(1H-pyrrol-2-yl)ethanol?
The InChIKey is JEFMTOOKWSCNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c18-11-15(16-9-4-10-17-16)14-8-3-6-12-5-1-2-7-13(12)14/h1-10,15,17-18H,11H2.
What are the key properties of 2-naphthalen-1-yl-2-(1H-pyrrol-2-yl)ethanol?
2-naphthalen-1-yl-2-(1H-pyrrol-2-yl)ethanol has a molecular weight of 237.30 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-2-(1H-pyrrol-2-yl)ethanol is sourced from PubChem (CID 135039272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).