methyl 3-hydroxy-2-methoxy-6-(3-methyl-1H-indol-2-yl)benzoate

C18H17NO4 — CID 135032500

IUPACmethyl 3-hydroxy-2-methoxy-6-(3-methyl-1H-indol-2-yl)benzoate
SMILESCOC(=O)c1c(-c2[nH]c3ccccc3c2C)ccc(O)c1OC
InChIInChI=1S/C18H17NO4/c1-10-11-6-4-5-7-13(11)19-16(10)12-8-9-14(20)17(22-2)15(12)18(21)23-3/h4-9,19-20H,1-3H3
InChIKeyXCYZISXAOKYQCU-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.64
Rot. Bonds3

About methyl 3-hydroxy-2-methoxy-6-(3-methyl-1H-indol-2-yl)benzoate

methyl 3-hydroxy-2-methoxy-6-(3-methyl-1H-indol-2-yl)benzoate (PubChem CID 135032500) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is methyl 3-hydroxy-2-methoxy-6-(3-methyl-1H-indol-2-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-methoxy-6-(3-methyl-1H-indol-2-yl)benzoate
PubChem CID135032500
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Namemethyl 3-hydroxy-2-methoxy-6-(3-methyl-1H-indol-2-yl)benzoate
SMILESCOC(=O)c1c(-c2[nH]c3ccccc3c2C)ccc(O)c1OC
InChIInChI=1S/C18H17NO4/c1-10-11-6-4-5-7-13(11)19-16(10)12-8-9-14(20)17(22-2)15(12)18(21)23-3/h4-9,19-20H,1-3H3
InChIKeyXCYZISXAOKYQCU-UHFFFAOYSA-N
XLogP3.64
TPSA71.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-hydroxy-2-methoxy-5-(3-methyl-1H-indol-2-yl)benzoate
CID 135032499
methyl 2-methyl-1H-indole-3-carboxylate
CID 594174
methyl 2-thiophen-3-yl-1H-indole-3-carboxylate
CID 57412548
methyl 2-methylsulfanyl-1H-indole-3-carboxylate
CID 11481434
3-methyl-4-(3-methyl-1H-indol-2-yl)-1H-indol-7-ol
CID 15933689
dimethyl anthracene-9,10-dicarboxylate
CID 139057809
N-cyclopropyl-3-methoxy-1H-indole-2-carboxamide
CID 166192754
2-(2,3,4-trimethoxyphenyl)-1H-indole-3-carboxylic acid
CID 45032309
dimethyl 3,4-dimethylnaphthalene-1,2-dicarboxylate
CID 151167949
methyl 4-hydroxynaphthalene-1-carboxylate
CID 22171384
3-acetyl-4-methyl-1H-quinolin-2-one
CID 102153269
methyl 3-hydroxy-2-phenoxycarbonyloxy-6-phenylbenzoate
CID 70006981

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-methoxy-6-(3-methyl-1H-indol-2-yl)benzoate?
The IUPAC name of methyl 3-hydroxy-2-methoxy-6-(3-methyl-1H-indol-2-yl)benzoate (CID 135032500) is methyl 3-hydroxy-2-methoxy-6-(3-methyl-1H-indol-2-yl)benzoate.
What is the SMILES notation for methyl 3-hydroxy-2-methoxy-6-(3-methyl-1H-indol-2-yl)benzoate?
The canonical SMILES for methyl 3-hydroxy-2-methoxy-6-(3-methyl-1H-indol-2-yl)benzoate is COC(=O)c1c(-c2[nH]c3ccccc3c2C)ccc(O)c1OC.
What is the InChIKey of methyl 3-hydroxy-2-methoxy-6-(3-methyl-1H-indol-2-yl)benzoate?
The InChIKey is XCYZISXAOKYQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-10-11-6-4-5-7-13(11)19-16(10)12-8-9-14(20)17(22-2)15(12)18(21)23-3/h4-9,19-20H,1-3H3.
What are the key properties of methyl 3-hydroxy-2-methoxy-6-(3-methyl-1H-indol-2-yl)benzoate?
methyl 3-hydroxy-2-methoxy-6-(3-methyl-1H-indol-2-yl)benzoate has a molecular weight of 311.34 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-methoxy-6-(3-methyl-1H-indol-2-yl)benzoate is sourced from PubChem (CID 135032500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).