methyl 3-hydroxy-2-methoxy-5-(3-methyl-1H-indol-2-yl)benzoate

C18H17NO4 — CID 135032499

IUPACmethyl 3-hydroxy-2-methoxy-5-(3-methyl-1H-indol-2-yl)benzoate
SMILESCOC(=O)c1cc(-c2[nH]c3ccccc3c2C)cc(O)c1OC
InChIInChI=1S/C18H17NO4/c1-10-12-6-4-5-7-14(12)19-16(10)11-8-13(18(21)23-3)17(22-2)15(20)9-11/h4-9,19-20H,1-3H3
InChIKeyZFWNULWETYWNOJ-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.64
Rot. Bonds3

About methyl 3-hydroxy-2-methoxy-5-(3-methyl-1H-indol-2-yl)benzoate

methyl 3-hydroxy-2-methoxy-5-(3-methyl-1H-indol-2-yl)benzoate (PubChem CID 135032499) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is methyl 3-hydroxy-2-methoxy-5-(3-methyl-1H-indol-2-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-methoxy-5-(3-methyl-1H-indol-2-yl)benzoate
PubChem CID135032499
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Namemethyl 3-hydroxy-2-methoxy-5-(3-methyl-1H-indol-2-yl)benzoate
SMILESCOC(=O)c1cc(-c2[nH]c3ccccc3c2C)cc(O)c1OC
InChIInChI=1S/C18H17NO4/c1-10-12-6-4-5-7-14(12)19-16(10)11-8-13(18(21)23-3)17(22-2)15(20)9-11/h4-9,19-20H,1-3H3
InChIKeyZFWNULWETYWNOJ-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

Analyze methyl 3-hydroxy-2-methoxy-5-(3-methyl-1H-indol-2-yl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-methoxy-5-(3-methyl-1H-indol-2-yl)benzoate?
The IUPAC name of methyl 3-hydroxy-2-methoxy-5-(3-methyl-1H-indol-2-yl)benzoate (CID 135032499) is methyl 3-hydroxy-2-methoxy-5-(3-methyl-1H-indol-2-yl)benzoate.
What is the SMILES notation for methyl 3-hydroxy-2-methoxy-5-(3-methyl-1H-indol-2-yl)benzoate?
The canonical SMILES for methyl 3-hydroxy-2-methoxy-5-(3-methyl-1H-indol-2-yl)benzoate is COC(=O)c1cc(-c2[nH]c3ccccc3c2C)cc(O)c1OC.
What is the InChIKey of methyl 3-hydroxy-2-methoxy-5-(3-methyl-1H-indol-2-yl)benzoate?
The InChIKey is ZFWNULWETYWNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-10-12-6-4-5-7-14(12)19-16(10)11-8-13(18(21)23-3)17(22-2)15(20)9-11/h4-9,19-20H,1-3H3.
What are the key properties of methyl 3-hydroxy-2-methoxy-5-(3-methyl-1H-indol-2-yl)benzoate?
methyl 3-hydroxy-2-methoxy-5-(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-5-(3-methyl-1H-indol-2-yl)benzoate is sourced from PubChem (CID 135032499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).