methyl 3-hydroxy-3-methyl-1,2-dihydroindene-4-carboxylate

C12H14O3 — CID 11085000

IUPACmethyl 3-hydroxy-3-methyl-1,2-dihydroindene-4-carboxylate
SMILESCOC(=O)c1cccc2c1C(C)(O)CC2
InChIInChI=1S/C12H14O3/c1-12(14)7-6-8-4-3-5-9(10(8)12)11(13)15-2/h3-5,14H,6-7H2,1-2H3
InChIKeyGUHXJQKVUBPXFY-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.63
Rot. Bonds1

About methyl 3-hydroxy-3-methyl-1,2-dihydroindene-4-carboxylate

methyl 3-hydroxy-3-methyl-1,2-dihydroindene-4-carboxylate (PubChem CID 11085000) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is methyl 3-hydroxy-3-methyl-1,2-dihydroindene-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-hydroxy-3-methyl-1,2-dihydroindene-4-carboxylate
PubChem CID11085000
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Namemethyl 3-hydroxy-3-methyl-1,2-dihydroindene-4-carboxylate
SMILESCOC(=O)c1cccc2c1C(C)(O)CC2
InChIInChI=1S/C12H14O3/c1-12(14)7-6-8-4-3-5-9(10(8)12)11(13)15-2/h3-5,14H,6-7H2,1-2H3
InChIKeyGUHXJQKVUBPXFY-UHFFFAOYSA-N
XLogP1.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 3-hydroxy-3-methyl-1,2-dihydroindene-4-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

1-methyl-2,3-dihydroindene-1,7-diol
CID 175232410
methyl 1-amino-1-methyl-2-(2,2,2-trifluoroacetyl)-3,4-dihydroisoquinoline-8-carboxylate
CID 175047090
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 1,2,3,4-tetrahydroisoquinoline-8-carboxylate
CID 45074001
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
dimethyl 5,6,7,8-tetrahydronaphthalene-1,7-dicarboxylate
CID 134459821
dimethyl 2-bromobenzene-1,3-dicarboxylate
CID 12699360
methyl 1-chloro-3,3-dimethyl-2,4-dihydroquinoline-8-carboxylate
CID 141309225
methyl 9H-xanthene-1-carboxylate
CID 66809757
methyl 4,4-dimethyl-2-oxo-1,3-dihydroquinoline-8-carboxylate
CID 68501471
methyl 2-amino-3-(2-amino-3-methoxycarbonylphenyl)benzoate
CID 167435975
methyl 3-amino-2-(3,4-dihydro-2H-quinolin-1-yl)benzoate
CID 115934046

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-3-methyl-1,2-dihydroindene-4-carboxylate?
The IUPAC name of methyl 3-hydroxy-3-methyl-1,2-dihydroindene-4-carboxylate (CID 11085000) is methyl 3-hydroxy-3-methyl-1,2-dihydroindene-4-carboxylate.
What is the SMILES notation for methyl 3-hydroxy-3-methyl-1,2-dihydroindene-4-carboxylate?
The canonical SMILES for methyl 3-hydroxy-3-methyl-1,2-dihydroindene-4-carboxylate is COC(=O)c1cccc2c1C(C)(O)CC2.
What is the InChIKey of methyl 3-hydroxy-3-methyl-1,2-dihydroindene-4-carboxylate?
The InChIKey is GUHXJQKVUBPXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-12(14)7-6-8-4-3-5-9(10(8)12)11(13)15-2/h3-5,14H,6-7H2,1-2H3.
What are the key properties of methyl 3-hydroxy-3-methyl-1,2-dihydroindene-4-carboxylate?
methyl 3-hydroxy-3-methyl-1,2-dihydroindene-4-carboxylate has a molecular weight of 206.24 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-3-methyl-1,2-dihydroindene-4-carboxylate is sourced from PubChem (CID 11085000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).