methyl 2-hydroxy-2-(7-methoxy-3H-inden-1-yl)acetate

C13H14O4 — CID 23559702

IUPACmethyl 2-hydroxy-2-(7-methoxy-3H-inden-1-yl)acetate
SMILESCOC(=O)C(O)C1=CCc2cccc(OC)c21
InChIInChI=1S/C13H14O4/c1-16-10-5-3-4-8-6-7-9(11(8)10)12(14)13(15)17-2/h3-5,7,12,14H,6H2,1-2H3
InChIKeyRZRMOSZJOOGGIG-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.17
Rot. Bonds3

About methyl 2-hydroxy-2-(7-methoxy-3H-inden-1-yl)acetate

methyl 2-hydroxy-2-(7-methoxy-3H-inden-1-yl)acetate (PubChem CID 23559702) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is methyl 2-hydroxy-2-(7-methoxy-3H-inden-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-(7-methoxy-3H-inden-1-yl)acetate
PubChem CID23559702
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Namemethyl 2-hydroxy-2-(7-methoxy-3H-inden-1-yl)acetate
SMILESCOC(=O)C(O)C1=CCc2cccc(OC)c21
InChIInChI=1S/C13H14O4/c1-16-10-5-3-4-8-6-7-9(11(8)10)12(14)13(15)17-2/h3-5,7,12,14H,6H2,1-2H3
InChIKeyRZRMOSZJOOGGIG-UHFFFAOYSA-N
XLogP1.17
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-hydroxy-2-(7-methoxy-3H-inden-1-yl)acetate 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 2-hydroxy-2-(7-methoxy-3H-inden-1-yl)acetate?
The IUPAC name of methyl 2-hydroxy-2-(7-methoxy-3H-inden-1-yl)acetate (CID 23559702) is methyl 2-hydroxy-2-(7-methoxy-3H-inden-1-yl)acetate.
What is the SMILES notation for methyl 2-hydroxy-2-(7-methoxy-3H-inden-1-yl)acetate?
The canonical SMILES for methyl 2-hydroxy-2-(7-methoxy-3H-inden-1-yl)acetate is COC(=O)C(O)C1=CCc2cccc(OC)c21.
What is the InChIKey of methyl 2-hydroxy-2-(7-methoxy-3H-inden-1-yl)acetate?
The InChIKey is RZRMOSZJOOGGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O4/c1-16-10-5-3-4-8-6-7-9(11(8)10)12(14)13(15)17-2/h3-5,7,12,14H,6H2,1-2H3.
What are the key properties of methyl 2-hydroxy-2-(7-methoxy-3H-inden-1-yl)acetate?
methyl 2-hydroxy-2-(7-methoxy-3H-inden-1-yl)acetate has a molecular weight of 234.25 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-(7-methoxy-3H-inden-1-yl)acetate is sourced from PubChem (CID 23559702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).