2-[4-[bis(1H-indol-3-yl)methyl]-2-ethoxyphenoxy]acetic acid

C27H24N2O4 — CID 2907269

IUPAC2-[4-[bis(1H-indol-3-yl)methyl]-2-ethoxyphenoxy]acetic acid
SMILESCCOc1cc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)ccc1OCC(=O)O
InChIInChI=1S/C27H24N2O4/c1-2-32-25-13-17(11-12-24(25)33-16-26(30)31)27(20-14-28-22-9-5-3-7-18(20)22)21-15-29-23-10-6-4-8-19(21)23/h3-15,27-29H,2,16H2,1H3,(H,30,31)
InChIKeyZUOIJRWZRUSWBM-UHFFFAOYSA-N
MW440.50 g/mol
LogP5.69
Rot. Bonds8

About 2-[4-[bis(1H-indol-3-yl)methyl]-2-ethoxyphenoxy]acetic acid

2-[4-[bis(1H-indol-3-yl)methyl]-2-ethoxyphenoxy]acetic acid (PubChem CID 2907269) has the molecular formula C27H24N2O4 and a molecular weight of 440.50 g/mol. Its IUPAC name is 2-[4-[bis(1H-indol-3-yl)methyl]-2-ethoxyphenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[bis(1H-indol-3-yl)methyl]-2-ethoxyphenoxy]acetic acid
PubChem CID2907269
Molecular FormulaC27H24N2O4
Molecular Weight440.50 g/mol
Exact Mass440.17
IUPAC Name2-[4-[bis(1H-indol-3-yl)methyl]-2-ethoxyphenoxy]acetic acid
SMILESCCOc1cc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)ccc1OCC(=O)O
InChIInChI=1S/C27H24N2O4/c1-2-32-25-13-17(11-12-24(25)33-16-26(30)31)27(20-14-28-22-9-5-3-7-18(20)22)21-15-29-23-10-6-4-8-19(21)23/h3-15,27-29H,2,16H2,1H3,(H,30,31)
InChIKeyZUOIJRWZRUSWBM-UHFFFAOYSA-N
XLogP5.69
TPSA87.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.50
LogP ≤ 55.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[4-[bis(1H-indol-3-yl)methyl]-2-ethoxyphenoxy]acetic acid 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

ethyl 3-[4-[bis(1H-indol-3-yl)methyl]-2-methoxyphenoxy]propanoate
CID 102312560
N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 29204635
4-ethoxy-N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide
CID 46521063
N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119692889
N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 60606874
5-[(S)-(3-ethoxy-4-phenylmethoxyphenyl)-(1H-indol-3-yl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 126123889
N-[2-[[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 26996376
5-[(R)-[3-ethoxy-4-(2-methylpropoxy)phenyl]-(1H-indol-3-yl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 126128363
N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 55435875
2-[2-[(3,4-dimethoxyphenyl)-(1H-indol-3-yl)methyl]-4,5-dimethoxyphenyl]ethanol
CID 102203268
3-chloro-N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzamide
CID 29204639
2-[2-(carboxymethoxy)-4-propan-2-ylphenoxy]acetic acid
CID 20697686

Frequently Asked Questions

What is the IUPAC name of 2-[4-[bis(1H-indol-3-yl)methyl]-2-ethoxyphenoxy]acetic acid?
The IUPAC name of 2-[4-[bis(1H-indol-3-yl)methyl]-2-ethoxyphenoxy]acetic acid (CID 2907269) is 2-[4-[bis(1H-indol-3-yl)methyl]-2-ethoxyphenoxy]acetic acid.
What is the SMILES notation for 2-[4-[bis(1H-indol-3-yl)methyl]-2-ethoxyphenoxy]acetic acid?
The canonical SMILES for 2-[4-[bis(1H-indol-3-yl)methyl]-2-ethoxyphenoxy]acetic acid is CCOc1cc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)ccc1OCC(=O)O.
What is the InChIKey of 2-[4-[bis(1H-indol-3-yl)methyl]-2-ethoxyphenoxy]acetic acid?
The InChIKey is ZUOIJRWZRUSWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O4/c1-2-32-25-13-17(11-12-24(25)33-16-26(30)31)27(20-14-28-22-9-5-3-7-18(20)22)21-15-29-23-10-6-4-8-19(21)23/h3-15,27-29H,2,16H2,1H3,(H,30,31).
What are the key properties of 2-[4-[bis(1H-indol-3-yl)methyl]-2-ethoxyphenoxy]acetic acid?
2-[4-[bis(1H-indol-3-yl)methyl]-2-ethoxyphenoxy]acetic acid has a molecular weight of 440.50 g/mol, XLogP of 5.69, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[bis(1H-indol-3-yl)methyl]-2-ethoxyphenoxy]acetic acid is sourced from PubChem (CID 2907269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).