benzyl 4-hydroxy-1-methylindole-3-carboxylate

C17H15NO3 — CID 11097978

IUPACbenzyl 4-hydroxy-1-methylindole-3-carboxylate
SMILESCn1cc(C(=O)OCc2ccccc2)c2c(O)cccc21
InChIInChI=1S/C17H15NO3/c1-18-10-13(16-14(18)8-5-9-15(16)19)17(20)21-11-12-6-3-2-4-7-12/h2-10,19H,11H2,1H3
InChIKeyQFJAAFDXKOQPSK-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.24
Rot. Bonds3

About benzyl 4-hydroxy-1-methylindole-3-carboxylate

benzyl 4-hydroxy-1-methylindole-3-carboxylate (PubChem CID 11097978) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is benzyl 4-hydroxy-1-methylindole-3-carboxylate.

Molecular Properties

Compound Namebenzyl 4-hydroxy-1-methylindole-3-carboxylate
PubChem CID11097978
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Namebenzyl 4-hydroxy-1-methylindole-3-carboxylate
SMILESCn1cc(C(=O)OCc2ccccc2)c2c(O)cccc21
InChIInChI=1S/C17H15NO3/c1-18-10-13(16-14(18)8-5-9-15(16)19)17(20)21-11-12-6-3-2-4-7-12/h2-10,19H,11H2,1H3
InChIKeyQFJAAFDXKOQPSK-UHFFFAOYSA-N
XLogP3.24
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze benzyl 4-hydroxy-1-methylindole-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

1-(4-hydroxy-1-methylindol-3-yl)ethanone
CID 82655872
benzyl 2-fluoro-3-hydroxybenzoate
CID 561298
benzyl 2,3-difluorobenzoate
CID 62867579
benzyl 2-hydroxy-3-methoxybenzoate
CID 18075523
dibenzyl 1-methylimidazole-2,4-dicarboxylate
CID 139429649
benzyl 2-hydroxy-6-sulfanylbenzoate
CID 57290903
benzyl 2-hydroxy-5-iodobenzoate
CID 10760569
benzyl 2,4-dimethylbenzoate;dihydrochloride
CID 156703415
benzyl 1-(2-aminoethyl)imidazole-4-carboxylate
CID 107499261
benzyl 2-hydroxybenzoate;benzyl 3-hydroxy-2-(trifluoromethyl)benzoate
CID 158703546
benzyl 2-bromo-1-methylimidazole-4-carboxylate
CID 70980972
benzyl benzoate
CID 2345

Frequently Asked Questions

What is the IUPAC name of benzyl 4-hydroxy-1-methylindole-3-carboxylate?
The IUPAC name of benzyl 4-hydroxy-1-methylindole-3-carboxylate (CID 11097978) is benzyl 4-hydroxy-1-methylindole-3-carboxylate.
What is the SMILES notation for benzyl 4-hydroxy-1-methylindole-3-carboxylate?
The canonical SMILES for benzyl 4-hydroxy-1-methylindole-3-carboxylate is Cn1cc(C(=O)OCc2ccccc2)c2c(O)cccc21.
What is the InChIKey of benzyl 4-hydroxy-1-methylindole-3-carboxylate?
The InChIKey is QFJAAFDXKOQPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-18-10-13(16-14(18)8-5-9-15(16)19)17(20)21-11-12-6-3-2-4-7-12/h2-10,19H,11H2,1H3.
What are the key properties of benzyl 4-hydroxy-1-methylindole-3-carboxylate?
benzyl 4-hydroxy-1-methylindole-3-carboxylate has a molecular weight of 281.31 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-hydroxy-1-methylindole-3-carboxylate is sourced from PubChem (CID 11097978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).