2-(2-methoxyphenyl)-5-phenylmethoxy-2,3-dihydro-1H-indole

C22H21NO2 — CID 142624947

IUPAC2-(2-methoxyphenyl)-5-phenylmethoxy-2,3-dihydro-1H-indole
SMILESCOc1ccccc1C1Cc2cc(OCc3ccccc3)ccc2N1
InChIInChI=1S/C22H21NO2/c1-24-22-10-6-5-9-19(22)21-14-17-13-18(11-12-20(17)23-21)25-15-16-7-3-2-4-8-16/h2-13,21,23H,14-15H2,1H3
InChIKeyRNHOJHKQIXOCFZ-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.98
Rot. Bonds5

About 2-(2-methoxyphenyl)-5-phenylmethoxy-2,3-dihydro-1H-indole

2-(2-methoxyphenyl)-5-phenylmethoxy-2,3-dihydro-1H-indole (PubChem CID 142624947) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-5-phenylmethoxy-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-5-phenylmethoxy-2,3-dihydro-1H-indole
PubChem CID142624947
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name2-(2-methoxyphenyl)-5-phenylmethoxy-2,3-dihydro-1H-indole
SMILESCOc1ccccc1C1Cc2cc(OCc3ccccc3)ccc2N1
InChIInChI=1S/C22H21NO2/c1-24-22-10-6-5-9-19(22)21-14-17-13-18(11-12-20(17)23-21)25-15-16-7-3-2-4-8-16/h2-13,21,23H,14-15H2,1H3
InChIKeyRNHOJHKQIXOCFZ-UHFFFAOYSA-N
XLogP4.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-phenylmethoxy-2,3-dihydro-1H-indole
CID 166452154
5-butyl-2-(2-methoxyphenyl)-2,3-dihydro-1H-indole
CID 3984067
methyl (2R)-5-phenylmethoxy-2,3-dihydro-1H-indole-2-carboxylate
CID 57219346
5-ethoxy-2-(2-methoxy-5-methylphenyl)-2,3-dihydro-1H-indole
CID 4271065
1-(2-methoxy-5-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3521561
1-(2-methoxy-5-phenylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3473176
CID 123516675
CID 123516675
1-(4,5-dimethoxy-2-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 5015514
5-[2-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]-3-phenyl-4,5-dihydro-1H-pyrazole
CID 67765708
2-(2-phenylmethoxyphenyl)azetidine
CID 130043680
(1S,9S)-5,13-bis(phenylmethoxy)-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene
CID 101036078
3-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 62375582

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-5-phenylmethoxy-2,3-dihydro-1H-indole?
The IUPAC name of 2-(2-methoxyphenyl)-5-phenylmethoxy-2,3-dihydro-1H-indole (CID 142624947) is 2-(2-methoxyphenyl)-5-phenylmethoxy-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-(2-methoxyphenyl)-5-phenylmethoxy-2,3-dihydro-1H-indole?
The canonical SMILES for 2-(2-methoxyphenyl)-5-phenylmethoxy-2,3-dihydro-1H-indole is COc1ccccc1C1Cc2cc(OCc3ccccc3)ccc2N1.
What is the InChIKey of 2-(2-methoxyphenyl)-5-phenylmethoxy-2,3-dihydro-1H-indole?
The InChIKey is RNHOJHKQIXOCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c1-24-22-10-6-5-9-19(22)21-14-17-13-18(11-12-20(17)23-21)25-15-16-7-3-2-4-8-16/h2-13,21,23H,14-15H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)-5-phenylmethoxy-2,3-dihydro-1H-indole?
2-(2-methoxyphenyl)-5-phenylmethoxy-2,3-dihydro-1H-indole has a molecular weight of 331.42 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-5-phenylmethoxy-2,3-dihydro-1H-indole is sourced from PubChem (CID 142624947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).