methyl 3-phenyl-2,4-dihydropyran-3-carboxylate

C13H14O3 — CID 132502449

IUPACmethyl 3-phenyl-2,4-dihydropyran-3-carboxylate
SMILESCOC(=O)C1(c2ccccc2)CC=COC1
InChIInChI=1S/C13H14O3/c1-15-12(14)13(8-5-9-16-10-13)11-6-3-2-4-7-11/h2-7,9H,8,10H2,1H3
InChIKeyGMQFPRALTZUGFA-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.03
Rot. Bonds2

About methyl 3-phenyl-2,4-dihydropyran-3-carboxylate

methyl 3-phenyl-2,4-dihydropyran-3-carboxylate (PubChem CID 132502449) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is methyl 3-phenyl-2,4-dihydropyran-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-phenyl-2,4-dihydropyran-3-carboxylate
PubChem CID132502449
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Namemethyl 3-phenyl-2,4-dihydropyran-3-carboxylate
SMILESCOC(=O)C1(c2ccccc2)CC=COC1
InChIInChI=1S/C13H14O3/c1-15-12(14)13(8-5-9-16-10-13)11-6-3-2-4-7-11/h2-7,9H,8,10H2,1H3
InChIKeyGMQFPRALTZUGFA-UHFFFAOYSA-N
XLogP2.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(4-chlorophenyl)-2,4-dihydropyran-3-carboxylate
CID 132502453
methyl 3-(4-phenylphenyl)oxetane-3-carboxylate
CID 116873513
methyl (1S,5R)-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxylate
CID 70100630
methyl 1-carbamoyl-4-phenylpiperidine-4-carboxylate
CID 56977637
methyl 1-[4-(bromomethyl)phenyl]cyclopent-3-ene-1-carboxylate
CID 19090689
methyl 1-hydroxy-5,5-diphenylcyclopent-2-ene-1-carboxylate
CID 14434450
methyl 1-(2-methylbenzoyl)-4-phenylpiperidine-4-carboxylate
CID 46420789
methyl 7-phenylbicyclo[4.1.0]heptane-7-carboxylate
CID 22084933
dimethyl 9-oxobicyclo[4.2.1]non-3-ene-1,6-dicarboxylate
CID 15827639
methyl (1S)-2,2-dichloro-1-phenylcyclopropane-1-carboxylate
CID 7127361
methyl (1S)-1,2,2-triphenylcyclopropane-1-carboxylate
CID 100975897
methyl 4-phenyl-1-(propan-2-ylcarbamoyl)piperidine-4-carboxylate
CID 87012984

Frequently Asked Questions

What is the IUPAC name of methyl 3-phenyl-2,4-dihydropyran-3-carboxylate?
The IUPAC name of methyl 3-phenyl-2,4-dihydropyran-3-carboxylate (CID 132502449) is methyl 3-phenyl-2,4-dihydropyran-3-carboxylate.
What is the SMILES notation for methyl 3-phenyl-2,4-dihydropyran-3-carboxylate?
The canonical SMILES for methyl 3-phenyl-2,4-dihydropyran-3-carboxylate is COC(=O)C1(c2ccccc2)CC=COC1.
What is the InChIKey of methyl 3-phenyl-2,4-dihydropyran-3-carboxylate?
The InChIKey is GMQFPRALTZUGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c1-15-12(14)13(8-5-9-16-10-13)11-6-3-2-4-7-11/h2-7,9H,8,10H2,1H3.
What are the key properties of methyl 3-phenyl-2,4-dihydropyran-3-carboxylate?
methyl 3-phenyl-2,4-dihydropyran-3-carboxylate has a molecular weight of 218.25 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-phenyl-2,4-dihydropyran-3-carboxylate is sourced from PubChem (CID 132502449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).