methyl (2R)-2-naphthalen-2-yl-4-oxo-2,3-dihydropyran-5-carboxylate

C17H14O4 — CID 102466475

IUPACmethyl (2R)-2-naphthalen-2-yl-4-oxo-2,3-dihydropyran-5-carboxylate
SMILESCOC(=O)C1=CO[C@@H](c2ccc3ccccc3c2)CC1=O
InChIInChI=1S/C17H14O4/c1-20-17(19)14-10-21-16(9-15(14)18)13-7-6-11-4-2-3-5-12(11)8-13/h2-8,10,16H,9H2,1H3/t16-/m1/s1
InChIKeyNIHSPIJKOZDWLU-MRXNPFEDSA-N
MW282.30 g/mol
LogP2.93
Rot. Bonds2

About methyl (2R)-2-naphthalen-2-yl-4-oxo-2,3-dihydropyran-5-carboxylate

methyl (2R)-2-naphthalen-2-yl-4-oxo-2,3-dihydropyran-5-carboxylate (PubChem CID 102466475) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is methyl (2R)-2-naphthalen-2-yl-4-oxo-2,3-dihydropyran-5-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-2-naphthalen-2-yl-4-oxo-2,3-dihydropyran-5-carboxylate
PubChem CID102466475
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Namemethyl (2R)-2-naphthalen-2-yl-4-oxo-2,3-dihydropyran-5-carboxylate
SMILESCOC(=O)C1=CO[C@@H](c2ccc3ccccc3c2)CC1=O
InChIInChI=1S/C17H14O4/c1-20-17(19)14-10-21-16(9-15(14)18)13-7-6-11-4-2-3-5-12(11)8-13/h2-8,10,16H,9H2,1H3/t16-/m1/s1
InChIKeyNIHSPIJKOZDWLU-MRXNPFEDSA-N
XLogP2.93
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze methyl (2R)-2-naphthalen-2-yl-4-oxo-2,3-dihydropyran-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2R)-4-oxo-2-phenyl-2,3-dihydropyran-5-carboxylate
CID 102466469
methyl (2S,4S)-2-naphthalen-2-yl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate
CID 10759883
ethane;methyl naphthalene-2-carboxylate
CID 143895262
methyl (6R)-3,4-dimethyl-6-naphthalen-2-yl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 8862720
(2R)-2-naphthalen-2-yloxirane
CID 10877557
methyl (4S)-6-methyl-4-naphthalen-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 8871427
methyl 1-naphthalen-2-yl-1,2,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3-carboxylate
CID 134925617
dimethyl (2R,5S)-5-methyl-2-naphthalen-2-yl-1,2-dihydropyrrole-3,5-dicarboxylate
CID 10936260
methyl 3-methoxy-5-oxocyclopentene-1-carboxylate
CID 54438994
methyl 6-cyclopropylnaphthalene-2-carboxylate
CID 54752886
(2R)-5-hydroxy-2-phenyl-2,3-dihydropyran-4-one
CID 13147940
methyl 3-(7-hydroxy-4-oxo-2,3-dihydrochromen-2-yl)benzoate
CID 121301307

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-naphthalen-2-yl-4-oxo-2,3-dihydropyran-5-carboxylate?
The IUPAC name of methyl (2R)-2-naphthalen-2-yl-4-oxo-2,3-dihydropyran-5-carboxylate (CID 102466475) is methyl (2R)-2-naphthalen-2-yl-4-oxo-2,3-dihydropyran-5-carboxylate.
What is the SMILES notation for methyl (2R)-2-naphthalen-2-yl-4-oxo-2,3-dihydropyran-5-carboxylate?
The canonical SMILES for methyl (2R)-2-naphthalen-2-yl-4-oxo-2,3-dihydropyran-5-carboxylate is COC(=O)C1=CO[C@@H](c2ccc3ccccc3c2)CC1=O.
What is the InChIKey of methyl (2R)-2-naphthalen-2-yl-4-oxo-2,3-dihydropyran-5-carboxylate?
The InChIKey is NIHSPIJKOZDWLU-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H14O4/c1-20-17(19)14-10-21-16(9-15(14)18)13-7-6-11-4-2-3-5-12(11)8-13/h2-8,10,16H,9H2,1H3/t16-/m1/s1.
What are the key properties of methyl (2R)-2-naphthalen-2-yl-4-oxo-2,3-dihydropyran-5-carboxylate?
methyl (2R)-2-naphthalen-2-yl-4-oxo-2,3-dihydropyran-5-carboxylate has a molecular weight of 282.30 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-naphthalen-2-yl-4-oxo-2,3-dihydropyran-5-carboxylate is sourced from PubChem (CID 102466475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).