methyl 4-benzyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate

C18H17NO3 — CID 70166553

IUPACmethyl 4-benzyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c2ccc(O)c(Cc3ccccc3)c12
InChIInChI=1S/C18H17NO3/c1-11-16(18(21)22-2)17-13(10-12-6-4-3-5-7-12)15(20)9-8-14(17)19-11/h3-9,19-20H,10H2,1-2H3
InChIKeyMWYZCXVXWUXAQY-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.56
Rot. Bonds3

About methyl 4-benzyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate

methyl 4-benzyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate (PubChem CID 70166553) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is methyl 4-benzyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-benzyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate
PubChem CID70166553
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Namemethyl 4-benzyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c2ccc(O)c(Cc3ccccc3)c12
InChIInChI=1S/C18H17NO3/c1-11-16(18(21)22-2)17-13(10-12-6-4-3-5-7-12)15(20)9-8-14(17)19-11/h3-9,19-20H,10H2,1-2H3
InChIKeyMWYZCXVXWUXAQY-UHFFFAOYSA-N
XLogP3.56
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl 4-benzyl-5-hydroxy-2-methyl-1H-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

N-benzyl-4-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxamide
CID 70199870
methyl 4-fluoro-2-methyl-1H-indole-3-carboxylate
CID 121220626
methyl 4-bromo-2-methyl-1H-indole-3-carboxylate
CID 130049441
(4-fluorophenyl)methyl 4-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxylate
CID 54079579
methyl 2-methyl-1H-indole-3-carboxylate
CID 594174
4-acetyl-3-benzyl-5-methyl-1H-pyrrole-2-carbaldehyde
CID 154688957
methyl 4-(2-benzylbenzoyl)-2-(2-methoxy-2-oxoethyl)-5-methyl-1H-pyrrole-3-carboxylate
CID 11742009
2-benzyl-4-methoxy-3-methylphenol
CID 70517924
methyl 4-(2-aminoethyl)-7-hydroxy-2-methyl-1H-indole-3-carboxylate
CID 71200688
methyl 2-benzyl-3H-benzimidazole-5-carboxylate
CID 4915686
methyl 2,4-dimethyl-5-(phenylmethoxycarbamoyl)-1H-pyrrole-3-carboxylate
CID 17426403
methyl 4-(3-methoxy-4-phenylbut-2-enoyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 54094831

Frequently Asked Questions

What is the IUPAC name of methyl 4-benzyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate?
The IUPAC name of methyl 4-benzyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate (CID 70166553) is methyl 4-benzyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate.
What is the SMILES notation for methyl 4-benzyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate?
The canonical SMILES for methyl 4-benzyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate is COC(=O)c1c(C)[nH]c2ccc(O)c(Cc3ccccc3)c12.
What is the InChIKey of methyl 4-benzyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate?
The InChIKey is MWYZCXVXWUXAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-11-16(18(21)22-2)17-13(10-12-6-4-3-5-7-12)15(20)9-8-14(17)19-11/h3-9,19-20H,10H2,1-2H3.
What are the key properties of methyl 4-benzyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate?
methyl 4-benzyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-benzyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate is sourced from PubChem (CID 70166553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).