methyl 4-methyl-1H-indene-2-carboxylate

C12H12O2 — CID 154531762

IUPACmethyl 4-methyl-1H-indene-2-carboxylate
SMILESCOC(=O)C1=Cc2c(C)cccc2C1
InChIInChI=1S/C12H12O2/c1-8-4-3-5-9-6-10(7-11(8)9)12(13)14-2/h3-5,7H,6H2,1-2H3
InChIKeyQGQWECBBAOOOKI-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.11
Rot. Bonds1

About methyl 4-methyl-1H-indene-2-carboxylate

methyl 4-methyl-1H-indene-2-carboxylate (PubChem CID 154531762) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is methyl 4-methyl-1H-indene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-1H-indene-2-carboxylate
PubChem CID154531762
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Namemethyl 4-methyl-1H-indene-2-carboxylate
SMILESCOC(=O)C1=Cc2c(C)cccc2C1
InChIInChI=1S/C12H12O2/c1-8-4-3-5-9-6-10(7-11(8)9)12(13)14-2/h3-5,7H,6H2,1-2H3
InChIKeyQGQWECBBAOOOKI-UHFFFAOYSA-N
XLogP2.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl 4-methyl-1H-indene-2-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

2-methyl-2-(4-methyl-1H-inden-2-yl)propanoic acid
CID 105469810
(4-methyl-1H-inden-2-yl)methanol
CID 22889025
methyl 6-chloro-1H-indene-2-carboxylate
CID 115026155
methyl 8-methoxy-1,4-dihydronaphthalene-2-carboxylate
CID 10751295
methyl 7-amino-1H-indene-2-carboxylate
CID 160669454
dimethyl 3-methylbenzene-1,2-dicarboxylate;ethane
CID 144706370
methyl 8-methyl-8,9-dihydro-7H-benzo[7]annulene-6-carboxylate
CID 22620535
ethane;methane;methyl 2-methylbenzoate
CID 168902289
ethyl 1H-indene-2-carboxylate
CID 15378309
methyl 2-cyclobutyl-6-methylbenzoate
CID 144575018
methyl 2-methyl-6-methylsulfonylbenzoate
CID 174534028
ethane;methyl 2-methyl-6-propan-2-ylbenzoate
CID 144651677

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-1H-indene-2-carboxylate?
The IUPAC name of methyl 4-methyl-1H-indene-2-carboxylate (CID 154531762) is methyl 4-methyl-1H-indene-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-1H-indene-2-carboxylate?
The canonical SMILES for methyl 4-methyl-1H-indene-2-carboxylate is COC(=O)C1=Cc2c(C)cccc2C1.
What is the InChIKey of methyl 4-methyl-1H-indene-2-carboxylate?
The InChIKey is QGQWECBBAOOOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-8-4-3-5-9-6-10(7-11(8)9)12(13)14-2/h3-5,7H,6H2,1-2H3.
What are the key properties of methyl 4-methyl-1H-indene-2-carboxylate?
methyl 4-methyl-1H-indene-2-carboxylate has a molecular weight of 188.23 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-1H-indene-2-carboxylate is sourced from PubChem (CID 154531762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).