methyl 5-(4-hydroxy-2-methylphenyl)-1H-indole-3-carboxylate

C17H15NO3 — CID 57443275

IUPACmethyl 5-(4-hydroxy-2-methylphenyl)-1H-indole-3-carboxylate
SMILESCOC(=O)c1c[nH]c2ccc(-c3ccc(O)cc3C)cc12
InChIInChI=1S/C17H15NO3/c1-10-7-12(19)4-5-13(10)11-3-6-16-14(8-11)15(9-18-16)17(20)21-2/h3-9,18-19H,1-2H3
InChIKeyJXIFTJPLXDAQGY-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.64
Rot. Bonds2

About methyl 5-(4-hydroxy-2-methylphenyl)-1H-indole-3-carboxylate

methyl 5-(4-hydroxy-2-methylphenyl)-1H-indole-3-carboxylate (PubChem CID 57443275) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is methyl 5-(4-hydroxy-2-methylphenyl)-1H-indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-hydroxy-2-methylphenyl)-1H-indole-3-carboxylate
PubChem CID57443275
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Namemethyl 5-(4-hydroxy-2-methylphenyl)-1H-indole-3-carboxylate
SMILESCOC(=O)c1c[nH]c2ccc(-c3ccc(O)cc3C)cc12
InChIInChI=1S/C17H15NO3/c1-10-7-12(19)4-5-13(10)11-3-6-16-14(8-11)15(9-18-16)17(20)21-2/h3-9,18-19H,1-2H3
InChIKeyJXIFTJPLXDAQGY-UHFFFAOYSA-N
XLogP3.64
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-fluoro-1H-indole-3-carboxylate
CID 34176452
methyl 5-[4-(2,6-dimethoxyphenyl)phenyl]-1H-indole-3-carboxylate
CID 90353210
methyl 5-methylsulfanyl-1H-indole-3-carboxylate
CID 89470406
methyl 6-bromo-5-methyl-1H-indole-3-carboxylate
CID 130049639
2,3-dihydroxy-3-(3-methoxycarbonyl-1H-indol-5-yl)propanoic acid
CID 170824941
methyl 6-(4-hydroxy-2-methylphenyl)-1,2-dimethylindole-3-carboxylate
CID 67272736
methyl 5-hydroxy-2-(4-hydroxy-2-methoxycarbonylphenyl)benzoate
CID 132546246
methyl 5-ethylsulfonyl-1H-indole-3-carboxylate
CID 83984813
ethane;methyl 1H-indole-3-carboxylate
CID 143850313
methyl 5-(3-hydroxycyclobutyl)-1H-indole-3-carboxylate
CID 168986739
5-(4-methylphenyl)-1H-indole-3-carboxylic acid
CID 82297777
methyl 6-chloro-5-[4-(2-hydroxypropan-2-yl)-3-methoxyphenyl]-1H-indole-3-carboxylate
CID 86698700

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-hydroxy-2-methylphenyl)-1H-indole-3-carboxylate?
The IUPAC name of methyl 5-(4-hydroxy-2-methylphenyl)-1H-indole-3-carboxylate (CID 57443275) is methyl 5-(4-hydroxy-2-methylphenyl)-1H-indole-3-carboxylate.
What is the SMILES notation for methyl 5-(4-hydroxy-2-methylphenyl)-1H-indole-3-carboxylate?
The canonical SMILES for methyl 5-(4-hydroxy-2-methylphenyl)-1H-indole-3-carboxylate is COC(=O)c1c[nH]c2ccc(-c3ccc(O)cc3C)cc12.
What is the InChIKey of methyl 5-(4-hydroxy-2-methylphenyl)-1H-indole-3-carboxylate?
The InChIKey is JXIFTJPLXDAQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-10-7-12(19)4-5-13(10)11-3-6-16-14(8-11)15(9-18-16)17(20)21-2/h3-9,18-19H,1-2H3.
What are the key properties of methyl 5-(4-hydroxy-2-methylphenyl)-1H-indole-3-carboxylate?
methyl 5-(4-hydroxy-2-methylphenyl)-1H-indole-3-carboxylate has a molecular weight of 281.31 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-hydroxy-2-methylphenyl)-1H-indole-3-carboxylate is sourced from PubChem (CID 57443275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).