methyl 6-hydroxy-4-phenylmethoxy-1H-indole-2-carboxylate

C17H15NO4 — CID 72545836

IUPACmethyl 6-hydroxy-4-phenylmethoxy-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2c(OCc3ccccc3)cc(O)cc2[nH]1
InChIInChI=1S/C17H15NO4/c1-21-17(20)15-9-13-14(18-15)7-12(19)8-16(13)22-10-11-5-3-2-4-6-11/h2-9,18-19H,10H2,1H3
InChIKeySTKUWLFWVMTLOE-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.24
Rot. Bonds4

About methyl 6-hydroxy-4-phenylmethoxy-1H-indole-2-carboxylate

methyl 6-hydroxy-4-phenylmethoxy-1H-indole-2-carboxylate (PubChem CID 72545836) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is methyl 6-hydroxy-4-phenylmethoxy-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-hydroxy-4-phenylmethoxy-1H-indole-2-carboxylate
PubChem CID72545836
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Namemethyl 6-hydroxy-4-phenylmethoxy-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2c(OCc3ccccc3)cc(O)cc2[nH]1
InChIInChI=1S/C17H15NO4/c1-21-17(20)15-9-13-14(18-15)7-12(19)8-16(13)22-10-11-5-3-2-4-6-11/h2-9,18-19H,10H2,1H3
InChIKeySTKUWLFWVMTLOE-UHFFFAOYSA-N
XLogP3.24
TPSA71.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 6-hydroxy-4-phenylmethoxy-1H-indole-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

methyl 6-fluoro-4-phenylmethoxy-1H-indole-2-carboxylate
CID 10709261
methyl 6-methyl-5-phenylmethoxy-1H-indole-2-carboxylate
CID 58437486
methyl 5-fluoro-4-phenylmethoxy-1H-indole-2-carboxylate
CID 66927086
ethyl 4-methyl-6-phenylmethoxy-1H-indole-2-carboxylate
CID 22720009
6-cyclohexyloxy-4-phenylmethoxy-1H-indole-2-carboxylic acid
CID 175367557
methyl 1-phenyl-4-phenylmethoxynaphthalene-2-carboxylate
CID 147669047
ethyl 4-chloro-7-phenylmethoxy-1H-indole-2-carboxylate
CID 21194186
methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate
CID 14323673
methyl 6-amino-4-prop-2-enoxy-1H-indole-2-carboxylate
CID 90682237
methyl 5-[4-(3-methyl-4-phenylmethoxyphenyl)heptan-4-yl]-1H-pyrrole-2-carboxylate
CID 177395567
dimethyl 8-methoxy-4-phenylmethoxy-3,7-dihydropyrrolo[3,2-f]quinoline-2,6-dicarboxylate
CID 10788352
methyl 3-hydroxy-2-methyl-4-phenylmethoxybenzoate
CID 141491385

Frequently Asked Questions

What is the IUPAC name of methyl 6-hydroxy-4-phenylmethoxy-1H-indole-2-carboxylate?
The IUPAC name of methyl 6-hydroxy-4-phenylmethoxy-1H-indole-2-carboxylate (CID 72545836) is methyl 6-hydroxy-4-phenylmethoxy-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 6-hydroxy-4-phenylmethoxy-1H-indole-2-carboxylate?
The canonical SMILES for methyl 6-hydroxy-4-phenylmethoxy-1H-indole-2-carboxylate is COC(=O)c1cc2c(OCc3ccccc3)cc(O)cc2[nH]1.
What is the InChIKey of methyl 6-hydroxy-4-phenylmethoxy-1H-indole-2-carboxylate?
The InChIKey is STKUWLFWVMTLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-21-17(20)15-9-13-14(18-15)7-12(19)8-16(13)22-10-11-5-3-2-4-6-11/h2-9,18-19H,10H2,1H3.
What are the key properties of methyl 6-hydroxy-4-phenylmethoxy-1H-indole-2-carboxylate?
methyl 6-hydroxy-4-phenylmethoxy-1H-indole-2-carboxylate has a molecular weight of 297.31 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-hydroxy-4-phenylmethoxy-1H-indole-2-carboxylate is sourced from PubChem (CID 72545836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).