methyl 1-hydroxy-2,3-dihydroindene-1-carboxylate

C11H12O3 — CID 62213056

IUPACmethyl 1-hydroxy-2,3-dihydroindene-1-carboxylate
SMILESCOC(=O)C1(O)CCc2ccccc21
InChIInChI=1S/C11H12O3/c1-14-10(12)11(13)7-6-8-4-2-3-5-9(8)11/h2-5,13H,6-7H2,1H3
InChIKeyYGNFXSSEYGXOTM-UHFFFAOYSA-N
MW192.21 g/mol
LogP0.99
Rot. Bonds1

About methyl 1-hydroxy-2,3-dihydroindene-1-carboxylate

methyl 1-hydroxy-2,3-dihydroindene-1-carboxylate (PubChem CID 62213056) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is methyl 1-hydroxy-2,3-dihydroindene-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-hydroxy-2,3-dihydroindene-1-carboxylate
PubChem CID62213056
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Namemethyl 1-hydroxy-2,3-dihydroindene-1-carboxylate
SMILESCOC(=O)C1(O)CCc2ccccc21
InChIInChI=1S/C11H12O3/c1-14-10(12)11(13)7-6-8-4-2-3-5-9(8)11/h2-5,13H,6-7H2,1H3
InChIKeyYGNFXSSEYGXOTM-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-hydroxy-2,3-dihydroindene-1-carboxylate?
The IUPAC name of methyl 1-hydroxy-2,3-dihydroindene-1-carboxylate (CID 62213056) is methyl 1-hydroxy-2,3-dihydroindene-1-carboxylate.
What is the SMILES notation for methyl 1-hydroxy-2,3-dihydroindene-1-carboxylate?
The canonical SMILES for methyl 1-hydroxy-2,3-dihydroindene-1-carboxylate is COC(=O)C1(O)CCc2ccccc21.
What is the InChIKey of methyl 1-hydroxy-2,3-dihydroindene-1-carboxylate?
The InChIKey is YGNFXSSEYGXOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-14-10(12)11(13)7-6-8-4-2-3-5-9(8)11/h2-5,13H,6-7H2,1H3.
What are the key properties of methyl 1-hydroxy-2,3-dihydroindene-1-carboxylate?
methyl 1-hydroxy-2,3-dihydroindene-1-carboxylate has a molecular weight of 192.21 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-hydroxy-2,3-dihydroindene-1-carboxylate is sourced from PubChem (CID 62213056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).