ethyl 1-(4-methoxyphenyl)-2-methyl-5-(2-phenoxyethoxy)indole-3-carboxylate

C27H27NO5 — CID 2076757

IUPACethyl 1-(4-methoxyphenyl)-2-methyl-5-(2-phenoxyethoxy)indole-3-carboxylate
SMILESCCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2ccc(OCCOc3ccccc3)cc12
InChIInChI=1S/C27H27NO5/c1-4-31-27(29)26-19(2)28(20-10-12-21(30-3)13-11-20)25-15-14-23(18-24(25)26)33-17-16-32-22-8-6-5-7-9-22/h5-15,18H,4,16-17H2,1-3H3
InChIKeyZLXJBXSRSWJEGC-UHFFFAOYSA-N
MW445.52 g/mol
LogP5.58
Rot. Bonds9

About ethyl 1-(4-methoxyphenyl)-2-methyl-5-(2-phenoxyethoxy)indole-3-carboxylate

ethyl 1-(4-methoxyphenyl)-2-methyl-5-(2-phenoxyethoxy)indole-3-carboxylate (PubChem CID 2076757) has the molecular formula C27H27NO5 and a molecular weight of 445.52 g/mol. Its IUPAC name is ethyl 1-(4-methoxyphenyl)-2-methyl-5-(2-phenoxyethoxy)indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-methoxyphenyl)-2-methyl-5-(2-phenoxyethoxy)indole-3-carboxylate
PubChem CID2076757
Molecular FormulaC27H27NO5
Molecular Weight445.52 g/mol
Exact Mass445.19
IUPAC Nameethyl 1-(4-methoxyphenyl)-2-methyl-5-(2-phenoxyethoxy)indole-3-carboxylate
SMILESCCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2ccc(OCCOc3ccccc3)cc12
InChIInChI=1S/C27H27NO5/c1-4-31-27(29)26-19(2)28(20-10-12-21(30-3)13-11-20)25-15-14-23(18-24(25)26)33-17-16-32-22-8-6-5-7-9-22/h5-15,18H,4,16-17H2,1-3H3
InChIKeyZLXJBXSRSWJEGC-UHFFFAOYSA-N
XLogP5.58
TPSA58.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.52
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl 1-(4-methoxyphenyl)-2-methyl-5-(2-phenoxyethoxy)indole-3-carboxylate 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 5-(2-ethoxy-2-oxoethoxy)-1-(4-ethoxyphenyl)-2-methylindole-3-carboxylate
CID 1038232
ethyl 5-[2-(dimethylamino)ethoxy]-2-methyl-1-(4-methylphenyl)indole-3-carboxylate
CID 23768342
ethyl 1-(4-ethoxyphenyl)-2-methyl-5-prop-2-enoxyindole-3-carboxylate
CID 2076805
ethyl 1-(4-ethoxyphenyl)-5-(1-methoxy-1-oxobutan-2-yl)oxy-2-methylindole-3-carboxylate
CID 19238131
ethyl 2-methyl-5-(2-methylbenzoyl)oxy-1-phenylindole-3-carboxylate
CID 3931042
2-methoxyethyl 1-(4-ethoxyphenyl)-5-hydroxy-2-methylindole-3-carboxylate
CID 17138681
ethyl 5-[(3-cyano-2-pyridinyl)oxy]-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate
CID 1376947
1-(2-methyl-1-phenyl-5-propoxyindol-3-yl)ethanone
CID 46891660
ethyl 5-methoxy-2-methyl-1-[3-(trifluoromethyl)phenyl]indole-3-carboxylate
CID 56690107
ethyl 1-(3-chlorophenyl)-2-methyl-5-phenacyloxyindole-3-carboxylate
CID 23992877
ethyl 1-(4-ethoxyphenyl)-2-methyl-5-[(4-propan-2-yloxycarbonylphenyl)methoxy]indole-3-carboxylate
CID 2076807
ethyl 5-[(2R)-3-(benzylamino)-2-hydroxypropoxy]-2-methyl-1-(4-methylphenyl)indole-3-carboxylate
CID 1180098

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-methoxyphenyl)-2-methyl-5-(2-phenoxyethoxy)indole-3-carboxylate?
The IUPAC name of ethyl 1-(4-methoxyphenyl)-2-methyl-5-(2-phenoxyethoxy)indole-3-carboxylate (CID 2076757) is ethyl 1-(4-methoxyphenyl)-2-methyl-5-(2-phenoxyethoxy)indole-3-carboxylate.
What is the SMILES notation for ethyl 1-(4-methoxyphenyl)-2-methyl-5-(2-phenoxyethoxy)indole-3-carboxylate?
The canonical SMILES for ethyl 1-(4-methoxyphenyl)-2-methyl-5-(2-phenoxyethoxy)indole-3-carboxylate is CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2ccc(OCCOc3ccccc3)cc12.
What is the InChIKey of ethyl 1-(4-methoxyphenyl)-2-methyl-5-(2-phenoxyethoxy)indole-3-carboxylate?
The InChIKey is ZLXJBXSRSWJEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO5/c1-4-31-27(29)26-19(2)28(20-10-12-21(30-3)13-11-20)25-15-14-23(18-24(25)26)33-17-16-32-22-8-6-5-7-9-22/h5-15,18H,4,16-17H2,1-3H3.
What are the key properties of ethyl 1-(4-methoxyphenyl)-2-methyl-5-(2-phenoxyethoxy)indole-3-carboxylate?
ethyl 1-(4-methoxyphenyl)-2-methyl-5-(2-phenoxyethoxy)indole-3-carboxylate has a molecular weight of 445.52 g/mol, XLogP of 5.58, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-methoxyphenyl)-2-methyl-5-(2-phenoxyethoxy)indole-3-carboxylate is sourced from PubChem (CID 2076757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).