1-phenyl-6-phenylmethoxyindole

C21H17NO — CID 22049132

IUPAC1-phenyl-6-phenylmethoxyindole
SMILESc1ccc(COc2ccc3ccn(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C21H17NO/c1-3-7-17(8-4-1)16-23-20-12-11-18-13-14-22(21(18)15-20)19-9-5-2-6-10-19/h1-15H,16H2
InChIKeyIIWNCSVBJJLIOG-UHFFFAOYSA-N
MW299.37 g/mol
LogP5.21
Rot. Bonds4

About 1-phenyl-6-phenylmethoxyindole

1-phenyl-6-phenylmethoxyindole (PubChem CID 22049132) has the molecular formula C21H17NO and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-phenyl-6-phenylmethoxyindole.

Molecular Properties

Compound Name1-phenyl-6-phenylmethoxyindole
PubChem CID22049132
Molecular FormulaC21H17NO
Molecular Weight299.37 g/mol
Exact Mass299.13
IUPAC Name1-phenyl-6-phenylmethoxyindole
SMILESc1ccc(COc2ccc3ccn(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C21H17NO/c1-3-7-17(8-4-1)16-23-20-12-11-18-13-14-22(21(18)15-20)19-9-5-2-6-10-19/h1-15H,16H2
InChIKeyIIWNCSVBJJLIOG-UHFFFAOYSA-N
XLogP5.21
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.37
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-5-phenylmethoxyindole
CID 177163801
methyl 6-phenylmethoxyindole-1-carboxylate
CID 11448893
(2S,3S)-3-phenyl-3-(6-phenylmethoxyindol-1-yl)propane-1,2-diol
CID 69159723
1-(4-bromophenyl)-4-phenylmethoxypyridin-2-one
CID 59187025
2-chloro-6-phenylmethoxynaphthalene
CID 125116795
2-bromo-6-phenylmethoxynaphthalene
CID 640595
ethyl (E)-3-[1,3-dimethyl-5-(6-phenylmethoxyindol-1-yl)pyrazol-4-yl]prop-2-enoate
CID 66860637
ethane;1-(2-phenylethyl)-5-phenylmethoxyindole
CID 145371075
4-indol-1-yl-2-phenylmethoxybenzonitrile
CID 18452890
2-methyl-7-phenylmethoxynaphthalene
CID 90146760
N-hydroxy-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]indole-6-carboxamide
CID 169024522
3-(5-phenylmethoxyindol-1-yl)propanoic acid
CID 22570271

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-6-phenylmethoxyindole?
The IUPAC name of 1-phenyl-6-phenylmethoxyindole (CID 22049132) is 1-phenyl-6-phenylmethoxyindole.
What is the SMILES notation for 1-phenyl-6-phenylmethoxyindole?
The canonical SMILES for 1-phenyl-6-phenylmethoxyindole is c1ccc(COc2ccc3ccn(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 1-phenyl-6-phenylmethoxyindole?
The InChIKey is IIWNCSVBJJLIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO/c1-3-7-17(8-4-1)16-23-20-12-11-18-13-14-22(21(18)15-20)19-9-5-2-6-10-19/h1-15H,16H2.
What are the key properties of 1-phenyl-6-phenylmethoxyindole?
1-phenyl-6-phenylmethoxyindole has a molecular weight of 299.37 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-6-phenylmethoxyindole is sourced from PubChem (CID 22049132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).