methyl 1-(furan-2-ylmethyl)-5-hydroxy-2-methylindole-3-carboxylate

C16H15NO4 — CID 705741

IUPACmethyl 1-(furan-2-ylmethyl)-5-hydroxy-2-methylindole-3-carboxylate
SMILESCOC(=O)c1c(C)n(Cc2ccco2)c2ccc(O)cc12
InChIInChI=1S/C16H15NO4/c1-10-15(16(19)20-2)13-8-11(18)5-6-14(13)17(10)9-12-4-3-7-21-12/h3-8,18H,9H2,1-2H3
InChIKeySLEMOXQZCBGDCI-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.08
Rot. Bonds3

About methyl 1-(furan-2-ylmethyl)-5-hydroxy-2-methylindole-3-carboxylate

methyl 1-(furan-2-ylmethyl)-5-hydroxy-2-methylindole-3-carboxylate (PubChem CID 705741) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is methyl 1-(furan-2-ylmethyl)-5-hydroxy-2-methylindole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(furan-2-ylmethyl)-5-hydroxy-2-methylindole-3-carboxylate
PubChem CID705741
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Namemethyl 1-(furan-2-ylmethyl)-5-hydroxy-2-methylindole-3-carboxylate
SMILESCOC(=O)c1c(C)n(Cc2ccco2)c2ccc(O)cc12
InChIInChI=1S/C16H15NO4/c1-10-15(16(19)20-2)13-8-11(18)5-6-14(13)17(10)9-12-4-3-7-21-12/h3-8,18H,9H2,1-2H3
InChIKeySLEMOXQZCBGDCI-UHFFFAOYSA-N
XLogP3.08
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Mecarbinate
CID 616236
5-Methoxy-1-methyl-1H-indole-2-carboxylic acid
CID 647460
Ethyl 1-benzyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate
CID 628089
1-[2-(3,4-Dimethoxyphenyl)ethyl]-5-methoxy-2-methylindole-3-carboxylic acid
CID 1082708
3-acetyl-1-(4-ethoxyphenyl)-2-methyl-1H-indol-5-yl acetate
CID 1150669
Duometacin
CID 71912
1-[1-(4-Ethoxyphenyl)-5-hydroxy-2-methylindol-3-yl]ethanone
CID 786617
1-(4-ethoxyphenyl)-5-methoxy-2-methyl-1H-indole-3-carboxylic acid
CID 742160
5-Methoxy-2-methyl-1-phenyl-1H-indole-3-carboxylic acid
CID 916259
Ethyl 5-hydroxy-2-methyl-1-phenyl-1H-indole-3-carboxylate
CID 626459
3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl acetate
CID 711025
3-acetyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1H-indol-5-yl 2-furoate
CID 1223278

Frequently Asked Questions

What is the IUPAC name of methyl 1-(furan-2-ylmethyl)-5-hydroxy-2-methylindole-3-carboxylate?
The IUPAC name of methyl 1-(furan-2-ylmethyl)-5-hydroxy-2-methylindole-3-carboxylate (CID 705741) is methyl 1-(furan-2-ylmethyl)-5-hydroxy-2-methylindole-3-carboxylate.
What is the SMILES notation for methyl 1-(furan-2-ylmethyl)-5-hydroxy-2-methylindole-3-carboxylate?
The canonical SMILES for methyl 1-(furan-2-ylmethyl)-5-hydroxy-2-methylindole-3-carboxylate is COC(=O)c1c(C)n(Cc2ccco2)c2ccc(O)cc12.
What is the InChIKey of methyl 1-(furan-2-ylmethyl)-5-hydroxy-2-methylindole-3-carboxylate?
The InChIKey is SLEMOXQZCBGDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-10-15(16(19)20-2)13-8-11(18)5-6-14(13)17(10)9-12-4-3-7-21-12/h3-8,18H,9H2,1-2H3.
What are the key properties of methyl 1-(furan-2-ylmethyl)-5-hydroxy-2-methylindole-3-carboxylate?
methyl 1-(furan-2-ylmethyl)-5-hydroxy-2-methylindole-3-carboxylate has a molecular weight of 285.30 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(furan-2-ylmethyl)-5-hydroxy-2-methylindole-3-carboxylate is sourced from PubChem (CID 705741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).