methyl 2-(4-hydroxy-6-methyl-1H-indol-2-yl)acetate

C12H13NO3 — CID 131413897

IUPACmethyl 2-(4-hydroxy-6-methyl-1H-indol-2-yl)acetate
SMILESCOC(=O)Cc1cc2c(O)cc(C)cc2[nH]1
InChIInChI=1S/C12H13NO3/c1-7-3-10-9(11(14)4-7)5-8(13-10)6-12(15)16-2/h3-5,13-14H,6H2,1-2H3
InChIKeyCRWURMCXTHRMEL-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.90
Rot. Bonds2

About methyl 2-(4-hydroxy-6-methyl-1H-indol-2-yl)acetate

methyl 2-(4-hydroxy-6-methyl-1H-indol-2-yl)acetate (PubChem CID 131413897) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is methyl 2-(4-hydroxy-6-methyl-1H-indol-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-hydroxy-6-methyl-1H-indol-2-yl)acetate
PubChem CID131413897
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Namemethyl 2-(4-hydroxy-6-methyl-1H-indol-2-yl)acetate
SMILESCOC(=O)Cc1cc2c(O)cc(C)cc2[nH]1
InChIInChI=1S/C12H13NO3/c1-7-3-10-9(11(14)4-7)5-8(13-10)6-12(15)16-2/h3-5,13-14H,6H2,1-2H3
InChIKeyCRWURMCXTHRMEL-UHFFFAOYSA-N
XLogP1.90
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(6-amino-4-methoxy-1H-indol-2-yl)acetate
CID 141315386
methyl 2-(2-hydroxy-4,6-dimethylphenyl)acetate
CID 131029302
methyl 2-(2,6-dimethyl-1H-indol-3-yl)acetate
CID 54107367
methyl 2-(6-methyl-1H-indol-3-yl)acetate
CID 58828790
methyl 2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)acetate
CID 7063826
methyl 2-(5-methoxy-4-oxo-1H-quinolin-2-yl)acetate
CID 54542343
methyl 2-[4-methoxy-6-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134680684
methyl 2-[2-(2-methoxy-2-oxoethyl)-1H-indol-7-yl]acetate
CID 11184556
ethyl 2-(7-methoxy-4-oxo-1H-quinolin-2-yl)acetate
CID 13064085
methyl 2-(6,8-dichloro-4-oxo-1H-quinolin-2-yl)acetate
CID 39234899
methyl 2-(6-nitro-4-oxo-1H-pyridin-2-yl)acetate
CID 133097126
methyl 2-(2-chloro-5-methylphenyl)acetate
CID 86187737

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-hydroxy-6-methyl-1H-indol-2-yl)acetate?
The IUPAC name of methyl 2-(4-hydroxy-6-methyl-1H-indol-2-yl)acetate (CID 131413897) is methyl 2-(4-hydroxy-6-methyl-1H-indol-2-yl)acetate.
What is the SMILES notation for methyl 2-(4-hydroxy-6-methyl-1H-indol-2-yl)acetate?
The canonical SMILES for methyl 2-(4-hydroxy-6-methyl-1H-indol-2-yl)acetate is COC(=O)Cc1cc2c(O)cc(C)cc2[nH]1.
What is the InChIKey of methyl 2-(4-hydroxy-6-methyl-1H-indol-2-yl)acetate?
The InChIKey is CRWURMCXTHRMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-7-3-10-9(11(14)4-7)5-8(13-10)6-12(15)16-2/h3-5,13-14H,6H2,1-2H3.
What are the key properties of methyl 2-(4-hydroxy-6-methyl-1H-indol-2-yl)acetate?
methyl 2-(4-hydroxy-6-methyl-1H-indol-2-yl)acetate has a molecular weight of 219.24 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-hydroxy-6-methyl-1H-indol-2-yl)acetate is sourced from PubChem (CID 131413897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).