1-(2-naphthalen-1-yloxyethyl)-4-phenylmethoxyindole

C27H23NO2 — CID 84571556

IUPAC1-(2-naphthalen-1-yloxyethyl)-4-phenylmethoxyindole
SMILESc1ccc(COc2cccc3c2ccn3CCOc2cccc3ccccc23)cc1
InChIInChI=1S/C27H23NO2/c1-2-8-21(9-3-1)20-30-27-15-7-13-25-24(27)16-17-28(25)18-19-29-26-14-6-11-22-10-4-5-12-23(22)26/h1-17H,18-20H2
InChIKeyXAGPICDMLAHKMZ-UHFFFAOYSA-N
MW393.49 g/mol
LogP6.45
Rot. Bonds7

About 1-(2-naphthalen-1-yloxyethyl)-4-phenylmethoxyindole

1-(2-naphthalen-1-yloxyethyl)-4-phenylmethoxyindole (PubChem CID 84571556) has the molecular formula C27H23NO2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-(2-naphthalen-1-yloxyethyl)-4-phenylmethoxyindole.

Molecular Properties

Compound Name1-(2-naphthalen-1-yloxyethyl)-4-phenylmethoxyindole
PubChem CID84571556
Molecular FormulaC27H23NO2
Molecular Weight393.49 g/mol
Exact Mass393.17
IUPAC Name1-(2-naphthalen-1-yloxyethyl)-4-phenylmethoxyindole
SMILESc1ccc(COc2cccc3c2ccn3CCOc2cccc3ccccc23)cc1
InChIInChI=1S/C27H23NO2/c1-2-8-21(9-3-1)20-30-27-15-7-13-25-24(27)16-17-28(25)18-19-29-26-14-6-11-22-10-4-5-12-23(22)26/h1-17H,18-20H2
InChIKeyXAGPICDMLAHKMZ-UHFFFAOYSA-N
XLogP6.45
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(bromomethyl)-4-phenylmethoxyindole
CID 59096925
1-ethyl-4-phenylmethoxyindole
CID 24776902
N,N-dimethyl-3-(4-phenylmethoxyindol-1-yl)propan-1-amine
CID 84571792
1-(cyclopropylmethyl)-4-phenylmethoxyindole
CID 69006016
CID 59096793
CID 59096793
4-propoxy-1-(2-propoxyethyl)indole
CID 106458022
4-ethoxy-1-(phenylmethoxymethyl)indole
CID 102940706
4-phenylmethoxyindole-1-sulfinate
CID 23517350
3-methylbutyl 2-(4-phenylmethoxyindol-1-yl)acetate
CID 84573126
1-(4-methylphenyl)-2-(4-phenylmethoxyindol-1-yl)ethanone
CID 84571772
1-(4-bromophenyl)-2-(4-phenylmethoxyindol-1-yl)ethanone
CID 84571777
2-[1-[2-(3-phenylpropoxy)ethyl]indol-4-yl]oxyacetic acid
CID 18351684

Frequently Asked Questions

What is the IUPAC name of 1-(2-naphthalen-1-yloxyethyl)-4-phenylmethoxyindole?
The IUPAC name of 1-(2-naphthalen-1-yloxyethyl)-4-phenylmethoxyindole (CID 84571556) is 1-(2-naphthalen-1-yloxyethyl)-4-phenylmethoxyindole.
What is the SMILES notation for 1-(2-naphthalen-1-yloxyethyl)-4-phenylmethoxyindole?
The canonical SMILES for 1-(2-naphthalen-1-yloxyethyl)-4-phenylmethoxyindole is c1ccc(COc2cccc3c2ccn3CCOc2cccc3ccccc23)cc1.
What is the InChIKey of 1-(2-naphthalen-1-yloxyethyl)-4-phenylmethoxyindole?
The InChIKey is XAGPICDMLAHKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO2/c1-2-8-21(9-3-1)20-30-27-15-7-13-25-24(27)16-17-28(25)18-19-29-26-14-6-11-22-10-4-5-12-23(22)26/h1-17H,18-20H2.
What are the key properties of 1-(2-naphthalen-1-yloxyethyl)-4-phenylmethoxyindole?
1-(2-naphthalen-1-yloxyethyl)-4-phenylmethoxyindole has a molecular weight of 393.49 g/mol, XLogP of 6.45, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-naphthalen-1-yloxyethyl)-4-phenylmethoxyindole is sourced from PubChem (CID 84571556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).