(2-methyl-6-oxopyran-4-yl) 3-(4-methoxyphenyl)propanoate

C16H16O5 — CID 67979101

IUPAC(2-methyl-6-oxopyran-4-yl) 3-(4-methoxyphenyl)propanoate
SMILESCOc1ccc(CCC(=O)Oc2cc(C)oc(=O)c2)cc1
InChIInChI=1S/C16H16O5/c1-11-9-14(10-16(18)20-11)21-15(17)8-5-12-3-6-13(19-2)7-4-12/h3-4,6-7,9-10H,5,8H2,1-2H3
InChIKeyBEZPNFIGFWTZNZ-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.50
Rot. Bonds5

About (2-methyl-6-oxopyran-4-yl) 3-(4-methoxyphenyl)propanoate

(2-methyl-6-oxopyran-4-yl) 3-(4-methoxyphenyl)propanoate (PubChem CID 67979101) has the molecular formula C16H16O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is (2-methyl-6-oxopyran-4-yl) 3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Name(2-methyl-6-oxopyran-4-yl) 3-(4-methoxyphenyl)propanoate
PubChem CID67979101
Molecular FormulaC16H16O5
Molecular Weight288.30 g/mol
Exact Mass288.10
IUPAC Name(2-methyl-6-oxopyran-4-yl) 3-(4-methoxyphenyl)propanoate
SMILESCOc1ccc(CCC(=O)Oc2cc(C)oc(=O)c2)cc1
InChIInChI=1S/C16H16O5/c1-11-9-14(10-16(18)20-11)21-15(17)8-5-12-3-6-13(19-2)7-4-12/h3-4,6-7,9-10H,5,8H2,1-2H3
InChIKeyBEZPNFIGFWTZNZ-UHFFFAOYSA-N
XLogP2.50
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethylphenyl) 3-(4-methoxyphenyl)propanoate
CID 19221076
(4-chloro-3-methylphenyl) 3-(4-methoxyphenyl)propanoate
CID 19221088
(2-methyl-6-oxopyran-4-yl) 4-propanoyloxybutanoate
CID 163773380
(2-ethoxyphenyl) 3-(4-methoxyphenyl)propanoate
CID 19221084
(4-phenylmethoxyphenyl) 3-(4-methoxyphenyl)propanoate
CID 19221107
formyl 3-(4-methoxyphenyl)propanoate
CID 174628635
tert-butyl 3-(4-methoxyphenyl)propanoate
CID 63896650
(4-cyano-2-ethoxyphenyl) 3-(4-methoxyphenyl)propanoate
CID 8799792
(4-methylphenyl) 3-(3-methoxyphenyl)propanoate
CID 78829897
[4-[(4-methylphenyl)carbamoyl]phenyl] 3-(4-methoxyphenyl)propanoate
CID 19221101
(2-methoxy-5-nitrophenyl) 3-(4-methoxyphenyl)propanoate
CID 8908166
(3,5-dimethoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 8753262

Frequently Asked Questions

What is the IUPAC name of (2-methyl-6-oxopyran-4-yl) 3-(4-methoxyphenyl)propanoate?
The IUPAC name of (2-methyl-6-oxopyran-4-yl) 3-(4-methoxyphenyl)propanoate (CID 67979101) is (2-methyl-6-oxopyran-4-yl) 3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for (2-methyl-6-oxopyran-4-yl) 3-(4-methoxyphenyl)propanoate?
The canonical SMILES for (2-methyl-6-oxopyran-4-yl) 3-(4-methoxyphenyl)propanoate is COc1ccc(CCC(=O)Oc2cc(C)oc(=O)c2)cc1.
What is the InChIKey of (2-methyl-6-oxopyran-4-yl) 3-(4-methoxyphenyl)propanoate?
The InChIKey is BEZPNFIGFWTZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O5/c1-11-9-14(10-16(18)20-11)21-15(17)8-5-12-3-6-13(19-2)7-4-12/h3-4,6-7,9-10H,5,8H2,1-2H3.
What are the key properties of (2-methyl-6-oxopyran-4-yl) 3-(4-methoxyphenyl)propanoate?
(2-methyl-6-oxopyran-4-yl) 3-(4-methoxyphenyl)propanoate has a molecular weight of 288.30 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-6-oxopyran-4-yl) 3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 67979101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).