methyl 7-ethyl-2,3-dihydro-1H-indene-4-carboxylate

C13H16O2 — CID 166806898

IUPACmethyl 7-ethyl-2,3-dihydro-1H-indene-4-carboxylate
SMILESCCc1ccc(C(=O)OC)c2c1CCC2
InChIInChI=1S/C13H16O2/c1-3-9-7-8-12(13(14)15-2)11-6-4-5-10(9)11/h7-8H,3-6H2,1-2H3
InChIKeyQNODROXPWJQURE-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.52
Rot. Bonds2

About methyl 7-ethyl-2,3-dihydro-1H-indene-4-carboxylate

methyl 7-ethyl-2,3-dihydro-1H-indene-4-carboxylate (PubChem CID 166806898) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is methyl 7-ethyl-2,3-dihydro-1H-indene-4-carboxylate.

Molecular Properties

Compound Namemethyl 7-ethyl-2,3-dihydro-1H-indene-4-carboxylate
PubChem CID166806898
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Namemethyl 7-ethyl-2,3-dihydro-1H-indene-4-carboxylate
SMILESCCc1ccc(C(=O)OC)c2c1CCC2
InChIInChI=1S/C13H16O2/c1-3-9-7-8-12(13(14)15-2)11-6-4-5-10(9)11/h7-8H,3-6H2,1-2H3
InChIKeyQNODROXPWJQURE-UHFFFAOYSA-N
XLogP2.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tetramethyl naphthalene-1,4,5,8-tetracarboxylate
CID 520552
1-[7-(1-methoxyethenyl)-2,3-dihydro-1H-inden-4-yl]ethanone
CID 126484592
ethyl 4-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylate
CID 24974859
methyl 4-(1-ethoxyethenyl)-2-methylbenzoate
CID 126751882
ethyl 7-fluoro-2,3-dihydro-1H-indene-4-carboxylate
CID 170361396
dimethyl 2-methylbenzene-1,4-dicarboxylate;ethane
CID 143252882
methyl 2-ethyl-5-methoxybenzoate
CID 89096132
methyl 4-carbonochloridoyl-2-methylbenzoate
CID 141487555
methyl 4-(hydrazinecarbonyl)-2-methylbenzoate
CID 162059999
methyl 2-ethyl-4-phenoxybenzoate
CID 154641333
methyl 2-ethyl-5-methylsulfanylbenzoate
CID 91880894
dimethyl 2-propylbenzene-1,4-dicarboxylate
CID 161443646

Frequently Asked Questions

What is the IUPAC name of methyl 7-ethyl-2,3-dihydro-1H-indene-4-carboxylate?
The IUPAC name of methyl 7-ethyl-2,3-dihydro-1H-indene-4-carboxylate (CID 166806898) is methyl 7-ethyl-2,3-dihydro-1H-indene-4-carboxylate.
What is the SMILES notation for methyl 7-ethyl-2,3-dihydro-1H-indene-4-carboxylate?
The canonical SMILES for methyl 7-ethyl-2,3-dihydro-1H-indene-4-carboxylate is CCc1ccc(C(=O)OC)c2c1CCC2.
What is the InChIKey of methyl 7-ethyl-2,3-dihydro-1H-indene-4-carboxylate?
The InChIKey is QNODROXPWJQURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-3-9-7-8-12(13(14)15-2)11-6-4-5-10(9)11/h7-8H,3-6H2,1-2H3.
What are the key properties of methyl 7-ethyl-2,3-dihydro-1H-indene-4-carboxylate?
methyl 7-ethyl-2,3-dihydro-1H-indene-4-carboxylate has a molecular weight of 204.27 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-ethyl-2,3-dihydro-1H-indene-4-carboxylate is sourced from PubChem (CID 166806898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).