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

C16H14O5 — CID 102596315

IUPACmethyl (1R,2R)-2-(furan-2-carbonyl)-1-hydroxy-1,3-dihydroindene-2-carboxylate
SMILESCOC(=O)[C@]1(C(=O)c2ccco2)Cc2ccccc2[C@H]1O
InChIInChI=1S/C16H14O5/c1-20-15(19)16(14(18)12-7-4-8-21-12)9-10-5-2-3-6-11(10)13(16)17/h2-8,13,17H,9H2,1H3/t13-,16-/m1/s1
InChIKeyBIDAMPNUFMDWTR-CZUORRHYSA-N
MW286.28 g/mol
LogP1.91
Rot. Bonds3

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

methyl (1R,2R)-2-(furan-2-carbonyl)-1-hydroxy-1,3-dihydroindene-2-carboxylate (PubChem CID 102596315) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is methyl (1R,2R)-2-(furan-2-carbonyl)-1-hydroxy-1,3-dihydroindene-2-carboxylate.

Molecular Properties

Compound Namemethyl (1R,2R)-2-(furan-2-carbonyl)-1-hydroxy-1,3-dihydroindene-2-carboxylate
PubChem CID102596315
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Namemethyl (1R,2R)-2-(furan-2-carbonyl)-1-hydroxy-1,3-dihydroindene-2-carboxylate
SMILESCOC(=O)[C@]1(C(=O)c2ccco2)Cc2ccccc2[C@H]1O
InChIInChI=1S/C16H14O5/c1-20-15(19)16(14(18)12-7-4-8-21-12)9-10-5-2-3-6-11(10)13(16)17/h2-8,13,17H,9H2,1H3/t13-,16-/m1/s1
InChIKeyBIDAMPNUFMDWTR-CZUORRHYSA-N
XLogP1.91
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

[16-(furan-2-carbonyloxy)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl] furan-2-carboxylate
CID 170936704
1,1'-biphenyl;methyl furan-2-carboxylate
CID 159970386
methyl 2-(2-bromophenyl)cyclopropane-1-carboxylate
CID 85264672
dimethyl 3-(4-methoxyphenyl)-3,4-dihydro-1H-naphthalene-2,2-dicarboxylate
CID 101474665
methyl (3aS,8bR)-2-oxo-4,8b-dihydro-3H-indeno[1,2-b]furan-3a-carboxylate
CID 89472289
dimethyl 1-(2,6-dimethylhept-5-en-2-ylamino)-1,3-dihydroindene-2,2-dicarboxylate
CID 102129697
methyl (1R,9S,11R)-9-methoxy-12-oxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-11-carboxylate
CID 135041530
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)furan-2-carboxamide
CID 114312884
spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-ol
CID 13300016
dimethyl 1-methyl-2-thiophen-2-yl-2,4-dihydroquinoline-3,3-dicarboxylate
CID 134944273
dimethyl (2S,5R)-5-ethenyl-2-(2-fluorophenyl)oxolane-3,3-dicarboxylate
CID 102409974
dimethyl (9S,10S)-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,10-dicarboxylate
CID 134853900

Frequently Asked Questions

What is the IUPAC name of methyl (1R,2R)-2-(furan-2-carbonyl)-1-hydroxy-1,3-dihydroindene-2-carboxylate?
The IUPAC name of methyl (1R,2R)-2-(furan-2-carbonyl)-1-hydroxy-1,3-dihydroindene-2-carboxylate (CID 102596315) is methyl (1R,2R)-2-(furan-2-carbonyl)-1-hydroxy-1,3-dihydroindene-2-carboxylate.
What is the SMILES notation for methyl (1R,2R)-2-(furan-2-carbonyl)-1-hydroxy-1,3-dihydroindene-2-carboxylate?
The canonical SMILES for methyl (1R,2R)-2-(furan-2-carbonyl)-1-hydroxy-1,3-dihydroindene-2-carboxylate is COC(=O)[C@]1(C(=O)c2ccco2)Cc2ccccc2[C@H]1O.
What is the InChIKey of methyl (1R,2R)-2-(furan-2-carbonyl)-1-hydroxy-1,3-dihydroindene-2-carboxylate?
The InChIKey is BIDAMPNUFMDWTR-CZUORRHYSA-N. The full InChI is InChI=1S/C16H14O5/c1-20-15(19)16(14(18)12-7-4-8-21-12)9-10-5-2-3-6-11(10)13(16)17/h2-8,13,17H,9H2,1H3/t13-,16-/m1/s1.
What are the key properties of methyl (1R,2R)-2-(furan-2-carbonyl)-1-hydroxy-1,3-dihydroindene-2-carboxylate?
methyl (1R,2R)-2-(furan-2-carbonyl)-1-hydroxy-1,3-dihydroindene-2-carboxylate has a molecular weight of 286.28 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,2R)-2-(furan-2-carbonyl)-1-hydroxy-1,3-dihydroindene-2-carboxylate is sourced from PubChem (CID 102596315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).