methyl (3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylate

C11H12O3 — CID 155905494

IUPACmethyl (3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)[C@H](O)CC2
InChIInChI=1S/C11H12O3/c1-14-11(13)8-3-2-7-4-5-10(12)9(7)6-8/h2-3,6,10,12H,4-5H2,1H3/t10-/m1/s1
InChIKeyVLUJENWYTCMHBC-SNVBAGLBSA-N
MW192.21 g/mol
LogP1.45
Rot. Bonds1

About methyl (3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylate

methyl (3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylate (PubChem CID 155905494) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is methyl (3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylate
PubChem CID155905494
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Namemethyl (3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)[C@H](O)CC2
InChIInChI=1S/C11H12O3/c1-14-11(13)8-3-2-7-4-5-10(12)9(7)6-8/h2-3,6,10,12H,4-5H2,1H3/t10-/m1/s1
InChIKeyVLUJENWYTCMHBC-SNVBAGLBSA-N
XLogP1.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(methylamino)-2,3-dihydro-1H-indene-5-carboxylate
CID 59505320
(3S)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid
CID 155904489
methyl (3R)-3-(propan-2-ylamino)-2,3-dihydro-1H-indene-5-carboxylate
CID 66805276
methyl (3R)-3-(cyclopentanecarbonylamino)-2,3-dihydro-1H-indene-5-carboxylate
CID 66805415
methyl (4R)-4-hydroxy-3,4-dihydro-2H-thiochromene-7-carboxylate
CID 59089465
methyl (8R)-8-hydroxy-13,14,15-trimethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-4-carboxylate
CID 25131122
6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 71383857
methyl (3R)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate
CID 59505713
methyl 3-(2,3-dihydro-1H-indene-1-carbonylamino)-2,3-dihydro-1H-indene-5-carboxylate
CID 77170120
methyl (3R)-3-hydroxy-2,2-dimethyl-1,3-dihydroindene-5-carboxylate
CID 155905394
methyl 1-formyl-2,3-dihydro-1H-indene-5-carboxylate
CID 86071683
dimethyl 9,10-dihydroxy-9,10-dihydrophenanthrene-2,7-dicarboxylate
CID 138453798

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylate?
The IUPAC name of methyl (3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylate (CID 155905494) is methyl (3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylate.
What is the SMILES notation for methyl (3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylate?
The canonical SMILES for methyl (3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylate is COC(=O)c1ccc2c(c1)[C@H](O)CC2.
What is the InChIKey of methyl (3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylate?
The InChIKey is VLUJENWYTCMHBC-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H12O3/c1-14-11(13)8-3-2-7-4-5-10(12)9(7)6-8/h2-3,6,10,12H,4-5H2,1H3/t10-/m1/s1.
What are the key properties of methyl (3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylate?
methyl (3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylate has a molecular weight of 192.21 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylate is sourced from PubChem (CID 155905494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).