ethyl (2S,4R)-2-ethoxy-2-methyl-4-phenyl-3,4-dihydropyran-6-carboxylate

C17H22O4 — CID 134944571

IUPACethyl (2S,4R)-2-ethoxy-2-methyl-4-phenyl-3,4-dihydropyran-6-carboxylate
SMILESCCOC(=O)C1=C[C@H](c2ccccc2)C[C@@](C)(OCC)O1
InChIInChI=1S/C17H22O4/c1-4-19-16(18)15-11-14(13-9-7-6-8-10-13)12-17(3,21-15)20-5-2/h6-11,14H,4-5,12H2,1-3H3/t14-,17-/m0/s1
InChIKeyONPNMZLWXKPFNA-YOEHRIQHSA-N
MW290.36 g/mol
LogP3.39
Rot. Bonds5

About ethyl (2S,4R)-2-ethoxy-2-methyl-4-phenyl-3,4-dihydropyran-6-carboxylate

ethyl (2S,4R)-2-ethoxy-2-methyl-4-phenyl-3,4-dihydropyran-6-carboxylate (PubChem CID 134944571) has the molecular formula C17H22O4 and a molecular weight of 290.36 g/mol. Its IUPAC name is ethyl (2S,4R)-2-ethoxy-2-methyl-4-phenyl-3,4-dihydropyran-6-carboxylate.

Molecular Properties

Compound Nameethyl (2S,4R)-2-ethoxy-2-methyl-4-phenyl-3,4-dihydropyran-6-carboxylate
PubChem CID134944571
Molecular FormulaC17H22O4
Molecular Weight290.36 g/mol
Exact Mass290.15
IUPAC Nameethyl (2S,4R)-2-ethoxy-2-methyl-4-phenyl-3,4-dihydropyran-6-carboxylate
SMILESCCOC(=O)C1=C[C@H](c2ccccc2)C[C@@](C)(OCC)O1
InChIInChI=1S/C17H22O4/c1-4-19-16(18)15-11-14(13-9-7-6-8-10-13)12-17(3,21-15)20-5-2/h6-11,14H,4-5,12H2,1-3H3/t14-,17-/m0/s1
InChIKeyONPNMZLWXKPFNA-YOEHRIQHSA-N
XLogP3.39
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S,4R)-2-ethoxy-2-methyl-4-phenyl-3,4-dihydropyran-6-carboxylate?
The IUPAC name of ethyl (2S,4R)-2-ethoxy-2-methyl-4-phenyl-3,4-dihydropyran-6-carboxylate (CID 134944571) is ethyl (2S,4R)-2-ethoxy-2-methyl-4-phenyl-3,4-dihydropyran-6-carboxylate.
What is the SMILES notation for ethyl (2S,4R)-2-ethoxy-2-methyl-4-phenyl-3,4-dihydropyran-6-carboxylate?
The canonical SMILES for ethyl (2S,4R)-2-ethoxy-2-methyl-4-phenyl-3,4-dihydropyran-6-carboxylate is CCOC(=O)C1=C[C@H](c2ccccc2)C[C@@](C)(OCC)O1.
What is the InChIKey of ethyl (2S,4R)-2-ethoxy-2-methyl-4-phenyl-3,4-dihydropyran-6-carboxylate?
The InChIKey is ONPNMZLWXKPFNA-YOEHRIQHSA-N. The full InChI is InChI=1S/C17H22O4/c1-4-19-16(18)15-11-14(13-9-7-6-8-10-13)12-17(3,21-15)20-5-2/h6-11,14H,4-5,12H2,1-3H3/t14-,17-/m0/s1.
What are the key properties of ethyl (2S,4R)-2-ethoxy-2-methyl-4-phenyl-3,4-dihydropyran-6-carboxylate?
ethyl (2S,4R)-2-ethoxy-2-methyl-4-phenyl-3,4-dihydropyran-6-carboxylate has a molecular weight of 290.36 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,4R)-2-ethoxy-2-methyl-4-phenyl-3,4-dihydropyran-6-carboxylate is sourced from PubChem (CID 134944571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).