2-[2-[(4-chlorophenoxy)methyl]-5-methoxy-1-methylindol-3-yl]-1-methoxyethanol

C20H22ClNO4 — CID 91435167

IUPAC2-[2-[(4-chlorophenoxy)methyl]-5-methoxy-1-methylindol-3-yl]-1-methoxyethanol
SMILESCOc1ccc2c(c1)c(CC(O)OC)c(COc1ccc(Cl)cc1)n2C
InChIInChI=1S/C20H22ClNO4/c1-22-18-9-8-15(24-2)10-16(18)17(11-20(23)25-3)19(22)12-26-14-6-4-13(21)5-7-14/h4-10,20,23H,11-12H2,1-3H3
InChIKeyNEFKKAVDGXDVAU-UHFFFAOYSA-N
MW375.85 g/mol
LogP3.93
Rot. Bonds7

About 2-[2-[(4-chlorophenoxy)methyl]-5-methoxy-1-methylindol-3-yl]-1-methoxyethanol

2-[2-[(4-chlorophenoxy)methyl]-5-methoxy-1-methylindol-3-yl]-1-methoxyethanol (PubChem CID 91435167) has the molecular formula C20H22ClNO4 and a molecular weight of 375.85 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenoxy)methyl]-5-methoxy-1-methylindol-3-yl]-1-methoxyethanol.

Molecular Properties

Compound Name2-[2-[(4-chlorophenoxy)methyl]-5-methoxy-1-methylindol-3-yl]-1-methoxyethanol
PubChem CID91435167
Molecular FormulaC20H22ClNO4
Molecular Weight375.85 g/mol
Exact Mass375.12
IUPAC Name2-[2-[(4-chlorophenoxy)methyl]-5-methoxy-1-methylindol-3-yl]-1-methoxyethanol
SMILESCOc1ccc2c(c1)c(CC(O)OC)c(COc1ccc(Cl)cc1)n2C
InChIInChI=1S/C20H22ClNO4/c1-22-18-9-8-15(24-2)10-16(18)17(11-20(23)25-3)19(22)12-26-14-6-4-13(21)5-7-14/h4-10,20,23H,11-12H2,1-3H3
InChIKeyNEFKKAVDGXDVAU-UHFFFAOYSA-N
XLogP3.93
TPSA52.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.85
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[2-[(4-chlorophenoxy)methyl]-5-methoxy-1-methylindol-3-yl]-1-methoxyethanol 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-ethyl-5-methoxy-1-methylindol-2-yl)propanoic acid
CID 138718173
(4-chlorophenyl)-[3-(2,3-dihydroxypropyl)-5-methoxy-2-methylindol-1-yl]methanone
CID 154158103
1-(bromomethyl)-3-[(4-chlorophenoxy)methyl]-2,5-dimethoxybenzene
CID 102256089
6-bromo-1-butyl-2-[(4-chlorophenoxy)methyl]-5-methoxyindole-3-carboxylic acid
CID 124803416
3-[2-[(4-chlorophenoxy)methyl]-1-methylindol-3-yl]prop-2-enoic acid
CID 54353537
N-[2-(2-bromo-5-methoxy-1-methylindol-3-yl)ethyl]acetamide
CID 19082416
3-(2-bromoethyl)-1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindole
CID 18768714
(4-chlorophenyl)-(3-ethyl-5-methoxy-2-methylindol-1-yl)methanone
CID 15320026
4-chloro-6-methoxy-1-methylquinolin-2-one
CID 11673021
1-(2-chloro-1-ethyl-5-methoxyindol-3-yl)ethanol
CID 82268873
2-[(4-chlorophenoxy)methyl]-1,4-dimethylindole
CID 117184865
3-butyl-5-methoxy-1,2-dimethylindole
CID 129194050

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenoxy)methyl]-5-methoxy-1-methylindol-3-yl]-1-methoxyethanol?
The IUPAC name of 2-[2-[(4-chlorophenoxy)methyl]-5-methoxy-1-methylindol-3-yl]-1-methoxyethanol (CID 91435167) is 2-[2-[(4-chlorophenoxy)methyl]-5-methoxy-1-methylindol-3-yl]-1-methoxyethanol.
What is the SMILES notation for 2-[2-[(4-chlorophenoxy)methyl]-5-methoxy-1-methylindol-3-yl]-1-methoxyethanol?
The canonical SMILES for 2-[2-[(4-chlorophenoxy)methyl]-5-methoxy-1-methylindol-3-yl]-1-methoxyethanol is COc1ccc2c(c1)c(CC(O)OC)c(COc1ccc(Cl)cc1)n2C.
What is the InChIKey of 2-[2-[(4-chlorophenoxy)methyl]-5-methoxy-1-methylindol-3-yl]-1-methoxyethanol?
The InChIKey is NEFKKAVDGXDVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO4/c1-22-18-9-8-15(24-2)10-16(18)17(11-20(23)25-3)19(22)12-26-14-6-4-13(21)5-7-14/h4-10,20,23H,11-12H2,1-3H3.
What are the key properties of 2-[2-[(4-chlorophenoxy)methyl]-5-methoxy-1-methylindol-3-yl]-1-methoxyethanol?
2-[2-[(4-chlorophenoxy)methyl]-5-methoxy-1-methylindol-3-yl]-1-methoxyethanol has a molecular weight of 375.85 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenoxy)methyl]-5-methoxy-1-methylindol-3-yl]-1-methoxyethanol is sourced from PubChem (CID 91435167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).