methyl 2,2-dimethoxy-4-phenyl-3,4-dihydropyran-6-carboxylate

C15H18O5 — CID 14092388

IUPACmethyl 2,2-dimethoxy-4-phenyl-3,4-dihydropyran-6-carboxylate
SMILESCOC(=O)C1=CC(c2ccccc2)CC(OC)(OC)O1
InChIInChI=1S/C15H18O5/c1-17-14(16)13-9-12(11-7-5-4-6-8-11)10-15(18-2,19-3)20-13/h4-9,12H,10H2,1-3H3
InChIKeyAKQNGBBRHMRMSH-UHFFFAOYSA-N
MW278.30 g/mol
LogP2.19
Rot. Bonds4

About methyl 2,2-dimethoxy-4-phenyl-3,4-dihydropyran-6-carboxylate

methyl 2,2-dimethoxy-4-phenyl-3,4-dihydropyran-6-carboxylate (PubChem CID 14092388) has the molecular formula C15H18O5 and a molecular weight of 278.30 g/mol. Its IUPAC name is methyl 2,2-dimethoxy-4-phenyl-3,4-dihydropyran-6-carboxylate.

Molecular Properties

Compound Namemethyl 2,2-dimethoxy-4-phenyl-3,4-dihydropyran-6-carboxylate
PubChem CID14092388
Molecular FormulaC15H18O5
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Namemethyl 2,2-dimethoxy-4-phenyl-3,4-dihydropyran-6-carboxylate
SMILESCOC(=O)C1=CC(c2ccccc2)CC(OC)(OC)O1
InChIInChI=1S/C15H18O5/c1-17-14(16)13-9-12(11-7-5-4-6-8-11)10-15(18-2,19-3)20-13/h4-9,12H,10H2,1-3H3
InChIKeyAKQNGBBRHMRMSH-UHFFFAOYSA-N
XLogP2.19
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethoxy-4-phenyl-3,4-dihydropyran-6-carboxylate?
The IUPAC name of methyl 2,2-dimethoxy-4-phenyl-3,4-dihydropyran-6-carboxylate (CID 14092388) is methyl 2,2-dimethoxy-4-phenyl-3,4-dihydropyran-6-carboxylate.
What is the SMILES notation for methyl 2,2-dimethoxy-4-phenyl-3,4-dihydropyran-6-carboxylate?
The canonical SMILES for methyl 2,2-dimethoxy-4-phenyl-3,4-dihydropyran-6-carboxylate is COC(=O)C1=CC(c2ccccc2)CC(OC)(OC)O1.
What is the InChIKey of methyl 2,2-dimethoxy-4-phenyl-3,4-dihydropyran-6-carboxylate?
The InChIKey is AKQNGBBRHMRMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O5/c1-17-14(16)13-9-12(11-7-5-4-6-8-11)10-15(18-2,19-3)20-13/h4-9,12H,10H2,1-3H3.
What are the key properties of methyl 2,2-dimethoxy-4-phenyl-3,4-dihydropyran-6-carboxylate?
methyl 2,2-dimethoxy-4-phenyl-3,4-dihydropyran-6-carboxylate has a molecular weight of 278.30 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethoxy-4-phenyl-3,4-dihydropyran-6-carboxylate is sourced from PubChem (CID 14092388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).