methyl 5-methoxy-1-methyl-4-phenylmethoxyindole-2-carboxylate

C19H19NO4 — CID 10404037

IUPACmethyl 5-methoxy-1-methyl-4-phenylmethoxyindole-2-carboxylate
SMILESCOC(=O)c1cc2c(OCc3ccccc3)c(OC)ccc2n1C
InChIInChI=1S/C19H19NO4/c1-20-15-9-10-17(22-2)18(14(15)11-16(20)19(21)23-3)24-12-13-7-5-4-6-8-13/h4-11H,12H2,1-3H3
InChIKeyDZSTXIDGEOLABU-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.55
Rot. Bonds5

About methyl 5-methoxy-1-methyl-4-phenylmethoxyindole-2-carboxylate

methyl 5-methoxy-1-methyl-4-phenylmethoxyindole-2-carboxylate (PubChem CID 10404037) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is methyl 5-methoxy-1-methyl-4-phenylmethoxyindole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-methoxy-1-methyl-4-phenylmethoxyindole-2-carboxylate
PubChem CID10404037
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Namemethyl 5-methoxy-1-methyl-4-phenylmethoxyindole-2-carboxylate
SMILESCOC(=O)c1cc2c(OCc3ccccc3)c(OC)ccc2n1C
InChIInChI=1S/C19H19NO4/c1-20-15-9-10-17(22-2)18(14(15)11-16(20)19(21)23-3)24-12-13-7-5-4-6-8-13/h4-11H,12H2,1-3H3
InChIKeyDZSTXIDGEOLABU-UHFFFAOYSA-N
XLogP3.55
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 5-methoxy-1-methyl-4-phenylmethoxyindole-2-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

O-[(5-methoxy-1-methyl-4-phenylmethoxyindol-2-yl)methyl] methylsulfanylmethanethioate
CID 10452815
methyl 3-iodo-5-methoxy-4-phenylmethoxybenzoate
CID 91689901
N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate
CID 145103744
methyl 2-bromo-4,5-dimethoxy-3-phenylmethoxybenzoate
CID 164681646
1-O-benzyl 2-O-methyl 6,7-dimethoxyindole-1,2-dicarboxylate
CID 101377276
methyl 3-acetamido-1-methyl-5-phenylmethoxyindole-2-carboxylate
CID 4777725
4-methoxy-2-methyl-3-phenylmethoxybenzoic acid
CID 141015234
methyl 3-methoxy-4-methyl-5-phenylmethoxybenzoate
CID 11414943
1-(4-methoxy-3-phenylmethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
CID 141465485
3,5-dimethoxy-4-phenylmethoxybenzoic acid;3,5-dimethoxy-4-phenylmethoxybenzoyl chloride
CID 159259540
methyl 1-benzyl-4-(1-benzyl-5,6-dimethoxy-2-methoxycarbonylindol-4-yl)-5,6-dimethoxyindole-2-carboxylate
CID 25140716
methyl 3-[(3,5-dimethoxy-4-phenylmethoxybenzoyl)amino]-4-methylbenzoate
CID 16567479

Frequently Asked Questions

What is the IUPAC name of methyl 5-methoxy-1-methyl-4-phenylmethoxyindole-2-carboxylate?
The IUPAC name of methyl 5-methoxy-1-methyl-4-phenylmethoxyindole-2-carboxylate (CID 10404037) is methyl 5-methoxy-1-methyl-4-phenylmethoxyindole-2-carboxylate.
What is the SMILES notation for methyl 5-methoxy-1-methyl-4-phenylmethoxyindole-2-carboxylate?
The canonical SMILES for methyl 5-methoxy-1-methyl-4-phenylmethoxyindole-2-carboxylate is COC(=O)c1cc2c(OCc3ccccc3)c(OC)ccc2n1C.
What is the InChIKey of methyl 5-methoxy-1-methyl-4-phenylmethoxyindole-2-carboxylate?
The InChIKey is DZSTXIDGEOLABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-20-15-9-10-17(22-2)18(14(15)11-16(20)19(21)23-3)24-12-13-7-5-4-6-8-13/h4-11H,12H2,1-3H3.
What are the key properties of methyl 5-methoxy-1-methyl-4-phenylmethoxyindole-2-carboxylate?
methyl 5-methoxy-1-methyl-4-phenylmethoxyindole-2-carboxylate has a molecular weight of 325.36 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methoxy-1-methyl-4-phenylmethoxyindole-2-carboxylate is sourced from PubChem (CID 10404037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).