3-[(3-methoxyphenoxy)methyl]-2,3-dihydro-1H-indole

C16H17NO2 — CID 115104050

IUPAC3-[(3-methoxyphenoxy)methyl]-2,3-dihydro-1H-indole
SMILESCOc1cccc(OCC2CNc3ccccc32)c1
InChIInChI=1S/C16H17NO2/c1-18-13-5-4-6-14(9-13)19-11-12-10-17-16-8-3-2-7-15(12)16/h2-9,12,17H,10-11H2,1H3
InChIKeyHIDQYEDNTXKDKP-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.28
Rot. Bonds4

About 3-[(3-methoxyphenoxy)methyl]-2,3-dihydro-1H-indole

3-[(3-methoxyphenoxy)methyl]-2,3-dihydro-1H-indole (PubChem CID 115104050) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-[(3-methoxyphenoxy)methyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name3-[(3-methoxyphenoxy)methyl]-2,3-dihydro-1H-indole
PubChem CID115104050
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name3-[(3-methoxyphenoxy)methyl]-2,3-dihydro-1H-indole
SMILESCOc1cccc(OCC2CNc3ccccc32)c1
InChIInChI=1S/C16H17NO2/c1-18-13-5-4-6-14(9-13)19-11-12-10-17-16-8-3-2-7-15(12)16/h2-9,12,17H,10-11H2,1H3
InChIKeyHIDQYEDNTXKDKP-UHFFFAOYSA-N
XLogP3.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(3-methoxyphenoxy)methyl]-2,3-dihydro-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3-chlorophenoxy)methyl]-2,3-dihydro-1H-indole
CID 115104047
4-(2,3-dihydro-1H-indol-3-ylmethoxy)phenol
CID 115104056
3-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indole
CID 22037969
1-[(3-methoxyphenoxy)methyl]-2,3-dihydro-1H-isoindole
CID 115104616
(3R)-3-ethyl-2,3-dihydro-1H-indole
CID 92797412
3-(2-methoxyprop-2-enyl)-2,3-dihydro-1H-indole
CID 145312543
(3R)-5-methoxy-3-propyl-2,3-dihydro-1H-indole
CID 124549466
2,3-dihydro-1H-indol-3-yl-(3,5-dimethoxyphenyl)methanone
CID 116594626
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
(2S)-3-amino-2-[(3-methoxyphenoxy)methyl]-1,2-dihydroquinazolin-4-one
CID 944189
N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methylethanamine
CID 80567242
3-(2,2-dimethylpropyl)-5-methoxy-2,3-dihydro-1H-indole
CID 106985791

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenoxy)methyl]-2,3-dihydro-1H-indole?
The IUPAC name of 3-[(3-methoxyphenoxy)methyl]-2,3-dihydro-1H-indole (CID 115104050) is 3-[(3-methoxyphenoxy)methyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 3-[(3-methoxyphenoxy)methyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 3-[(3-methoxyphenoxy)methyl]-2,3-dihydro-1H-indole is COc1cccc(OCC2CNc3ccccc32)c1.
What is the InChIKey of 3-[(3-methoxyphenoxy)methyl]-2,3-dihydro-1H-indole?
The InChIKey is HIDQYEDNTXKDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-18-13-5-4-6-14(9-13)19-11-12-10-17-16-8-3-2-7-15(12)16/h2-9,12,17H,10-11H2,1H3.
What are the key properties of 3-[(3-methoxyphenoxy)methyl]-2,3-dihydro-1H-indole?
3-[(3-methoxyphenoxy)methyl]-2,3-dihydro-1H-indole has a molecular weight of 255.32 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenoxy)methyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 115104050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).