methyl 1-hydroxy-4-methyl-2,3-dihydro-1H-indene-2-carboxylate

C12H14O3 — CID 115024529

IUPACmethyl 1-hydroxy-4-methyl-2,3-dihydro-1H-indene-2-carboxylate
SMILESCOC(=O)C1Cc2c(C)cccc2C1O
InChIInChI=1S/C12H14O3/c1-7-4-3-5-8-9(7)6-10(11(8)13)12(14)15-2/h3-5,10-11,13H,6H2,1-2H3
InChIKeyMHQXNUNYAYCKHO-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.37
Rot. Bonds1

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

methyl 1-hydroxy-4-methyl-2,3-dihydro-1H-indene-2-carboxylate (PubChem CID 115024529) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is methyl 1-hydroxy-4-methyl-2,3-dihydro-1H-indene-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-hydroxy-4-methyl-2,3-dihydro-1H-indene-2-carboxylate
PubChem CID115024529
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Namemethyl 1-hydroxy-4-methyl-2,3-dihydro-1H-indene-2-carboxylate
SMILESCOC(=O)C1Cc2c(C)cccc2C1O
InChIInChI=1S/C12H14O3/c1-7-4-3-5-8-9(7)6-10(11(8)13)12(14)15-2/h3-5,10-11,13H,6H2,1-2H3
InChIKeyMHQXNUNYAYCKHO-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-bromo-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylate
CID 115050456
methyl 1,5-dihydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 115033200
N-[(1S,2S)-1-hydroxy-4-methyl-2,3-dihydro-1H-inden-2-yl]acetamide
CID 146168558
methyl 2-(2-amino-3-methylphenyl)cyclopropane-1-carboxylate
CID 171446432
hexamethyl (2S,3R,6R,7S,10S,11R)-1,2,3,4,5,6,7,8,9,10,11,12-dodecahydrotriphenylene-2,3,6,7,10,11-hexacarboxylate
CID 7163303
ethyl (1R,2R)-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylate
CID 102322788
dimethyl (4S,9R)-4,5,9,10-tetrahydropyrene-4,9-dicarboxylate
CID 102370718
dimethyl 4,5-dimethylcyclohex-4-ene-1,2-dicarboxylate
CID 3271327
methyl (7S)-bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate
CID 124511173
methyl 3-chloro-4-methyl-2,3-dihydro-1H-indene-1-carboxylate
CID 144594436
methyl (1S,2R)-1-[2-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]-4-methyl-2,3-dihydro-1H-indene-2-carboxylate
CID 159969099
methyl 2-(2-fluorophenyl)cyclohexane-1-carboxylate
CID 82243393

Frequently Asked Questions

What is the IUPAC name of methyl 1-hydroxy-4-methyl-2,3-dihydro-1H-indene-2-carboxylate?
The IUPAC name of methyl 1-hydroxy-4-methyl-2,3-dihydro-1H-indene-2-carboxylate (CID 115024529) is methyl 1-hydroxy-4-methyl-2,3-dihydro-1H-indene-2-carboxylate.
What is the SMILES notation for methyl 1-hydroxy-4-methyl-2,3-dihydro-1H-indene-2-carboxylate?
The canonical SMILES for methyl 1-hydroxy-4-methyl-2,3-dihydro-1H-indene-2-carboxylate is COC(=O)C1Cc2c(C)cccc2C1O.
What is the InChIKey of methyl 1-hydroxy-4-methyl-2,3-dihydro-1H-indene-2-carboxylate?
The InChIKey is MHQXNUNYAYCKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-7-4-3-5-8-9(7)6-10(11(8)13)12(14)15-2/h3-5,10-11,13H,6H2,1-2H3.
What are the key properties of methyl 1-hydroxy-4-methyl-2,3-dihydro-1H-indene-2-carboxylate?
methyl 1-hydroxy-4-methyl-2,3-dihydro-1H-indene-2-carboxylate has a molecular weight of 206.24 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-hydroxy-4-methyl-2,3-dihydro-1H-indene-2-carboxylate is sourced from PubChem (CID 115024529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).