1-[(4-phenylmethoxyphenyl)methyl]indole

C22H19NO — CID 23514006

IUPAC1-[(4-phenylmethoxyphenyl)methyl]indole
SMILESc1ccc(COc2ccc(Cn3ccc4ccccc43)cc2)cc1
InChIInChI=1S/C22H19NO/c1-2-6-19(7-3-1)17-24-21-12-10-18(11-13-21)16-23-15-14-20-8-4-5-9-22(20)23/h1-15H,16-17H2
InChIKeyWTEJKNGEPMWKMV-UHFFFAOYSA-N
MW313.40 g/mol
LogP5.27
Rot. Bonds5

About 1-[(4-phenylmethoxyphenyl)methyl]indole

1-[(4-phenylmethoxyphenyl)methyl]indole (PubChem CID 23514006) has the molecular formula C22H19NO and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-[(4-phenylmethoxyphenyl)methyl]indole.

Molecular Properties

Compound Name1-[(4-phenylmethoxyphenyl)methyl]indole
PubChem CID23514006
Molecular FormulaC22H19NO
Molecular Weight313.40 g/mol
Exact Mass313.15
IUPAC Name1-[(4-phenylmethoxyphenyl)methyl]indole
SMILESc1ccc(COc2ccc(Cn3ccc4ccccc43)cc2)cc1
InChIInChI=1S/C22H19NO/c1-2-6-19(7-3-1)17-24-21-12-10-18(11-13-21)16-23-15-14-20-8-4-5-9-22(20)23/h1-15H,16-17H2
InChIKeyWTEJKNGEPMWKMV-UHFFFAOYSA-N
XLogP5.27
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.40
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-phenylmethoxyphenyl)methyl]indole?
The IUPAC name of 1-[(4-phenylmethoxyphenyl)methyl]indole (CID 23514006) is 1-[(4-phenylmethoxyphenyl)methyl]indole.
What is the SMILES notation for 1-[(4-phenylmethoxyphenyl)methyl]indole?
The canonical SMILES for 1-[(4-phenylmethoxyphenyl)methyl]indole is c1ccc(COc2ccc(Cn3ccc4ccccc43)cc2)cc1.
What is the InChIKey of 1-[(4-phenylmethoxyphenyl)methyl]indole?
The InChIKey is WTEJKNGEPMWKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO/c1-2-6-19(7-3-1)17-24-21-12-10-18(11-13-21)16-23-15-14-20-8-4-5-9-22(20)23/h1-15H,16-17H2.
What are the key properties of 1-[(4-phenylmethoxyphenyl)methyl]indole?
1-[(4-phenylmethoxyphenyl)methyl]indole has a molecular weight of 313.40 g/mol, XLogP of 5.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-phenylmethoxyphenyl)methyl]indole is sourced from PubChem (CID 23514006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).