methyl (1R)-1-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carboxylate

C12H14O3 — CID 124673429

IUPACmethyl (1R)-1-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carboxylate
SMILESCOC(=O)c1cccc2c1CC[C@H]2CO
InChIInChI=1S/C12H14O3/c1-15-12(14)11-4-2-3-9-8(7-13)5-6-10(9)11/h2-4,8,13H,5-7H2,1H3/t8-/m0/s1
InChIKeyDVUWEZNWSAVCTP-QMMMGPOBSA-N
MW206.24 g/mol
LogP1.50
Rot. Bonds2

About methyl (1R)-1-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carboxylate

methyl (1R)-1-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carboxylate (PubChem CID 124673429) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is methyl (1R)-1-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carboxylate.

Molecular Properties

Compound Namemethyl (1R)-1-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carboxylate
PubChem CID124673429
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Namemethyl (1R)-1-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carboxylate
SMILESCOC(=O)c1cccc2c1CC[C@H]2CO
InChIInChI=1S/C12H14O3/c1-15-12(14)11-4-2-3-9-8(7-13)5-6-10(9)11/h2-4,8,13H,5-7H2,1H3/t8-/m0/s1
InChIKeyDVUWEZNWSAVCTP-QMMMGPOBSA-N
XLogP1.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (1S)-1-amino-2,3-dihydro-1H-indene-4-carboxylate
CID 59505387
methyl 5-amino-5,6,7,8-tetrahydronaphthalene-1-carboxylate;hydrochloride
CID 154878753
1-(methoxymethyl)-2,3-dihydro-1H-indene-4-carboxylic acid
CID 105458629
5-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 105458622
methyl 4-benzyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-7-carboxylate
CID 57041512
methyl 5-oxo-6-prop-2-enyl-7,8-dihydro-6H-naphthalene-1-carboxylate
CID 18794675
methyl 2-(4-bromo-2,3-dihydro-1H-inden-1-yl)acetate
CID 131278593
methyl (4R)-4-amino-3,4-dihydro-1H-isochromene-8-carboxylate
CID 131534145
[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methanol
CID 10535755
methyl (7R,8R)-7,8-dibromobicyclo[4.2.0]octa-1(6),2,4-triene-2-carboxylate
CID 11023628
methyl 2-propyl-2,3-dihydro-1H-indole-4-carboxylate
CID 118050194
methyl 2-(4-oxocyclohexyl)benzoate
CID 170755428

Frequently Asked Questions

What is the IUPAC name of methyl (1R)-1-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carboxylate?
The IUPAC name of methyl (1R)-1-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carboxylate (CID 124673429) is methyl (1R)-1-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carboxylate.
What is the SMILES notation for methyl (1R)-1-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carboxylate?
The canonical SMILES for methyl (1R)-1-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carboxylate is COC(=O)c1cccc2c1CC[C@H]2CO.
What is the InChIKey of methyl (1R)-1-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carboxylate?
The InChIKey is DVUWEZNWSAVCTP-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H14O3/c1-15-12(14)11-4-2-3-9-8(7-13)5-6-10(9)11/h2-4,8,13H,5-7H2,1H3/t8-/m0/s1.
What are the key properties of methyl (1R)-1-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carboxylate?
methyl (1R)-1-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carboxylate has a molecular weight of 206.24 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R)-1-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carboxylate is sourced from PubChem (CID 124673429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).