1-benzyl-3-(2-phenylmethoxyethyl)indole

C24H23NO — CID 11991337

IUPAC1-benzyl-3-(2-phenylmethoxyethyl)indole
SMILESc1ccc(COCCc2cn(Cc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C24H23NO/c1-3-9-20(10-4-1)17-25-18-22(23-13-7-8-14-24(23)25)15-16-26-19-21-11-5-2-6-12-21/h1-14,18H,15-17,19H2
InChIKeySBJXYJZKAQQQDQ-UHFFFAOYSA-N
MW341.45 g/mol
LogP5.45
Rot. Bonds7

About 1-benzyl-3-(2-phenylmethoxyethyl)indole

1-benzyl-3-(2-phenylmethoxyethyl)indole (PubChem CID 11991337) has the molecular formula C24H23NO and a molecular weight of 341.45 g/mol. Its IUPAC name is 1-benzyl-3-(2-phenylmethoxyethyl)indole.

Molecular Properties

Compound Name1-benzyl-3-(2-phenylmethoxyethyl)indole
PubChem CID11991337
Molecular FormulaC24H23NO
Molecular Weight341.45 g/mol
Exact Mass341.18
IUPAC Name1-benzyl-3-(2-phenylmethoxyethyl)indole
SMILESc1ccc(COCCc2cn(Cc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C24H23NO/c1-3-9-20(10-4-1)17-25-18-22(23-13-7-8-14-24(23)25)15-16-26-19-21-11-5-2-6-12-21/h1-14,18H,15-17,19H2
InChIKeySBJXYJZKAQQQDQ-UHFFFAOYSA-N
XLogP5.45
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.45
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Siramesine
CID 9829526
N-Methyl-5-benzyloxyindole
CID 259196
(1-methyl-1H-indol-4-yl)methanol
CID 17608739
1''-[4-(1-benzyl-1H-3-indolyl)butyl]spiro[1,3-dihydroisobenzofuran-1,4''-(hexahydropyridine)]
CID 9889994
1'-[4-(1-pyridin-4-ylindol-3-yl)butyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 9980526
4-fluoro-1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 10073546
5-fluoro-1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 10322581
1-[3-(4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutyl)indol-1-yl]ethanone
CID 10341071
1''-[4-(1-methyl-1H-3-indolyl)butyl]spiro[1,3-dihydroisobenzofuran-1,4''-(hexahydropyridine)]
CID 10362072
1''-[4-(1-methylsulfonyl-1H-3-indolyl)butyl]spiro[1,3-dihydroisobenzofuran-1,4''-(hexahydropyridine)]
CID 10365874
1''-[4-(1H-3-indolyl)butyl]spiro[1,3-dihydroisobenzofuran-1,4''-(hexahydropyridine)]
CID 10473699
1'-[4-[1-(4-Fluorophenyl)indol-3-yl]butyl]spiro[1,3-dihydroisochromene-4,4'-piperidine]
CID 11754399

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-phenylmethoxyethyl)indole?
The IUPAC name of 1-benzyl-3-(2-phenylmethoxyethyl)indole (CID 11991337) is 1-benzyl-3-(2-phenylmethoxyethyl)indole.
What is the SMILES notation for 1-benzyl-3-(2-phenylmethoxyethyl)indole?
The canonical SMILES for 1-benzyl-3-(2-phenylmethoxyethyl)indole is c1ccc(COCCc2cn(Cc3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 1-benzyl-3-(2-phenylmethoxyethyl)indole?
The InChIKey is SBJXYJZKAQQQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO/c1-3-9-20(10-4-1)17-25-18-22(23-13-7-8-14-24(23)25)15-16-26-19-21-11-5-2-6-12-21/h1-14,18H,15-17,19H2.
What are the key properties of 1-benzyl-3-(2-phenylmethoxyethyl)indole?
1-benzyl-3-(2-phenylmethoxyethyl)indole has a molecular weight of 341.45 g/mol, XLogP of 5.45, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-phenylmethoxyethyl)indole is sourced from PubChem (CID 11991337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).