2-(1H-indol-3-yl)-2-naphthalen-1-ylethanol

C20H17NO — CID 135011663

IUPAC2-(1H-indol-3-yl)-2-naphthalen-1-ylethanol
SMILESOCC(c1cccc2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C20H17NO/c22-13-19(18-12-21-20-11-4-3-9-17(18)20)16-10-5-7-14-6-1-2-8-15(14)16/h1-12,19,21-22H,13H2
InChIKeyIJAKGIKFGKJZLO-UHFFFAOYSA-N
MW287.36 g/mol
LogP4.45
Rot. Bonds3

About 2-(1H-indol-3-yl)-2-naphthalen-1-ylethanol

2-(1H-indol-3-yl)-2-naphthalen-1-ylethanol (PubChem CID 135011663) has the molecular formula C20H17NO and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-2-naphthalen-1-ylethanol.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-2-naphthalen-1-ylethanol
PubChem CID135011663
Molecular FormulaC20H17NO
Molecular Weight287.36 g/mol
Exact Mass287.13
IUPAC Name2-(1H-indol-3-yl)-2-naphthalen-1-ylethanol
SMILESOCC(c1cccc2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C20H17NO/c22-13-19(18-12-21-20-11-4-3-9-17(18)20)16-10-5-7-14-6-1-2-8-15(14)16/h1-12,19,21-22H,13H2
InChIKeyIJAKGIKFGKJZLO-UHFFFAOYSA-N
XLogP4.45
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-2-naphthalen-1-ylethanol?
The IUPAC name of 2-(1H-indol-3-yl)-2-naphthalen-1-ylethanol (CID 135011663) is 2-(1H-indol-3-yl)-2-naphthalen-1-ylethanol.
What is the SMILES notation for 2-(1H-indol-3-yl)-2-naphthalen-1-ylethanol?
The canonical SMILES for 2-(1H-indol-3-yl)-2-naphthalen-1-ylethanol is OCC(c1cccc2ccccc12)c1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)-2-naphthalen-1-ylethanol?
The InChIKey is IJAKGIKFGKJZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO/c22-13-19(18-12-21-20-11-4-3-9-17(18)20)16-10-5-7-14-6-1-2-8-15(14)16/h1-12,19,21-22H,13H2.
What are the key properties of 2-(1H-indol-3-yl)-2-naphthalen-1-ylethanol?
2-(1H-indol-3-yl)-2-naphthalen-1-ylethanol has a molecular weight of 287.36 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-2-naphthalen-1-ylethanol is sourced from PubChem (CID 135011663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).