ethyl (4S)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydropyran-5-carboxylate

C16H18O5 — CID 132547002

IUPACethyl (4S)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydropyran-5-carboxylate
SMILESCCOC(=O)C1=C(C)OC(=O)C[C@H]1c1ccc(OC)cc1
InChIInChI=1S/C16H18O5/c1-4-20-16(18)15-10(2)21-14(17)9-13(15)11-5-7-12(19-3)8-6-11/h5-8,13H,4,9H2,1-3H3/t13-/m0/s1
InChIKeyFFBJOHCGYGDOHY-ZDUSSCGKSA-N
MW290.32 g/mol
LogP2.56
Rot. Bonds4

About ethyl (4S)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydropyran-5-carboxylate

ethyl (4S)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydropyran-5-carboxylate (PubChem CID 132547002) has the molecular formula C16H18O5 and a molecular weight of 290.32 g/mol. Its IUPAC name is ethyl (4S)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydropyran-5-carboxylate.

Molecular Properties

Compound Nameethyl (4S)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydropyran-5-carboxylate
PubChem CID132547002
Molecular FormulaC16H18O5
Molecular Weight290.32 g/mol
Exact Mass290.12
IUPAC Nameethyl (4S)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydropyran-5-carboxylate
SMILESCCOC(=O)C1=C(C)OC(=O)C[C@H]1c1ccc(OC)cc1
InChIInChI=1S/C16H18O5/c1-4-20-16(18)15-10(2)21-14(17)9-13(15)11-5-7-12(19-3)8-6-11/h5-8,13H,4,9H2,1-3H3/t13-/m0/s1
InChIKeyFFBJOHCGYGDOHY-ZDUSSCGKSA-N
XLogP2.56
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-ethyl-2-oxo-4-phenyl-3,4-dihydropyran-5-carboxylate
CID 141454268
(4R)-4-(4-methoxyphenyl)-7-methyl-3,4-dihydrochromen-2-one
CID 101014337
ethyl (4S)-2-amino-4-(4-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate
CID 6943950
6-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 44601497
ethyl (2R,3R)-3-(4-methoxyphenyl)-5-methyl-2-nitro-2,3-dihydrofuran-4-carboxylate
CID 53259142
8-ethyl-5,7-dimethoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 11638718
ethyl 6-amino-5-cyano-4-[4-(4-methoxybenzoyl)oxyphenyl]-2-methyl-4H-pyran-3-carboxylate
CID 169391798
diethyl (4R)-2-amino-4-(4-ethoxyphenyl)-6-methyl-4H-pyran-3,5-dicarboxylate
CID 8613900
ethyl 4,6-bis(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2864538
5,7-dihydroxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 11460348
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
(4S)-5,7-dimethoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 6540146

Frequently Asked Questions

What is the IUPAC name of ethyl (4S)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydropyran-5-carboxylate?
The IUPAC name of ethyl (4S)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydropyran-5-carboxylate (CID 132547002) is ethyl (4S)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydropyran-5-carboxylate.
What is the SMILES notation for ethyl (4S)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydropyran-5-carboxylate?
The canonical SMILES for ethyl (4S)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydropyran-5-carboxylate is CCOC(=O)C1=C(C)OC(=O)C[C@H]1c1ccc(OC)cc1.
What is the InChIKey of ethyl (4S)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydropyran-5-carboxylate?
The InChIKey is FFBJOHCGYGDOHY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18O5/c1-4-20-16(18)15-10(2)21-14(17)9-13(15)11-5-7-12(19-3)8-6-11/h5-8,13H,4,9H2,1-3H3/t13-/m0/s1.
What are the key properties of ethyl (4S)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydropyran-5-carboxylate?
ethyl (4S)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydropyran-5-carboxylate has a molecular weight of 290.32 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4S)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydropyran-5-carboxylate is sourced from PubChem (CID 132547002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).