methyl (2R)-2-hydroxy-5-methyl-1,3-dihydroindene-2-carboxylate

C12H14O3 — CID 125481919

IUPACmethyl (2R)-2-hydroxy-5-methyl-1,3-dihydroindene-2-carboxylate
SMILESCOC(=O)[C@@]1(O)Cc2ccc(C)cc2C1
InChIInChI=1S/C12H14O3/c1-8-3-4-9-6-12(14,11(13)15-2)7-10(9)5-8/h3-5,14H,6-7H2,1-2H3/t12-/m1/s1
InChIKeyXVQUISUMANVZQJ-GFCCVEGCSA-N
MW206.24 g/mol
LogP1.00
Rot. Bonds1

About methyl (2R)-2-hydroxy-5-methyl-1,3-dihydroindene-2-carboxylate

methyl (2R)-2-hydroxy-5-methyl-1,3-dihydroindene-2-carboxylate (PubChem CID 125481919) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is methyl (2R)-2-hydroxy-5-methyl-1,3-dihydroindene-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-2-hydroxy-5-methyl-1,3-dihydroindene-2-carboxylate
PubChem CID125481919
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Namemethyl (2R)-2-hydroxy-5-methyl-1,3-dihydroindene-2-carboxylate
SMILESCOC(=O)[C@@]1(O)Cc2ccc(C)cc2C1
InChIInChI=1S/C12H14O3/c1-8-3-4-9-6-12(14,11(13)15-2)7-10(9)5-8/h3-5,14H,6-7H2,1-2H3/t12-/m1/s1
InChIKeyXVQUISUMANVZQJ-GFCCVEGCSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-1,3-dihydroindene-2-carboxylic acid
CID 84719506
(2,5-dimethyl-1,3-dihydroinden-2-yl) acetate
CID 157223751
2,2-difluoro-5-methyl-1,3-dihydroindene
CID 138628579
methyl 1-hydroxy-3-methylidenecyclobutane-1-carboxylate
CID 15579856
dimethyl 2-acetyl-1,3-dihydroindene-2,5-dicarboxylate
CID 10468672
(2,5-dimethyl-1,3-dihydroinden-2-yl) formate
CID 164851564
cis-dimethyl (1R,2S)-1-(2-bromo-4-methylphenyl)cyclopropane-1,2-dicarboxylate
CID 22825915
trimethyl 6-methyl-3,9-dihydro-1H-cyclopenta[b]naphthalene-2,2,9a-tricarboxylate
CID 102273378
methyl 7-hydroxybicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate
CID 14546673
ethane;5-methylspiro[1,3-dihydroindene-2,1'-cyclobutane]
CID 143517020
methyl 1-hydroxycyclopropane-1-carboxylate
CID 2733178
methyl 2-(5-methyl-2,3-dihydro-1H-inden-2-yl)acetate
CID 20765973

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-hydroxy-5-methyl-1,3-dihydroindene-2-carboxylate?
The IUPAC name of methyl (2R)-2-hydroxy-5-methyl-1,3-dihydroindene-2-carboxylate (CID 125481919) is methyl (2R)-2-hydroxy-5-methyl-1,3-dihydroindene-2-carboxylate.
What is the SMILES notation for methyl (2R)-2-hydroxy-5-methyl-1,3-dihydroindene-2-carboxylate?
The canonical SMILES for methyl (2R)-2-hydroxy-5-methyl-1,3-dihydroindene-2-carboxylate is COC(=O)[C@@]1(O)Cc2ccc(C)cc2C1.
What is the InChIKey of methyl (2R)-2-hydroxy-5-methyl-1,3-dihydroindene-2-carboxylate?
The InChIKey is XVQUISUMANVZQJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H14O3/c1-8-3-4-9-6-12(14,11(13)15-2)7-10(9)5-8/h3-5,14H,6-7H2,1-2H3/t12-/m1/s1.
What are the key properties of methyl (2R)-2-hydroxy-5-methyl-1,3-dihydroindene-2-carboxylate?
methyl (2R)-2-hydroxy-5-methyl-1,3-dihydroindene-2-carboxylate has a molecular weight of 206.24 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-hydroxy-5-methyl-1,3-dihydroindene-2-carboxylate is sourced from PubChem (CID 125481919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).