methyl (2R)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxypropanoate

C15H16O5 — CID 969730

IUPACmethyl (2R)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxypropanoate
SMILESCOC(=O)[C@@H](C)Oc1cc(C)cc2oc(=O)cc(C)c12
InChIInChI=1S/C15H16O5/c1-8-5-11(19-10(3)15(17)18-4)14-9(2)7-13(16)20-12(14)6-8/h5-7,10H,1-4H3/t10-/m1/s1
InChIKeyZFSPWDOWSHDSPZ-SNVBAGLBSA-N
MW276.29 g/mol
LogP2.35
Rot. Bonds3

About methyl (2R)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxypropanoate

methyl (2R)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxypropanoate (PubChem CID 969730) has the molecular formula C15H16O5 and a molecular weight of 276.29 g/mol. Its IUPAC name is methyl (2R)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxypropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxypropanoate
PubChem CID969730
Molecular FormulaC15H16O5
Molecular Weight276.29 g/mol
Exact Mass276.10
IUPAC Namemethyl (2R)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxypropanoate
SMILESCOC(=O)[C@@H](C)Oc1cc(C)cc2oc(=O)cc(C)c12
InChIInChI=1S/C15H16O5/c1-8-5-11(19-10(3)15(17)18-4)14-9(2)7-13(16)20-12(14)6-8/h5-7,10H,1-4H3/t10-/m1/s1
InChIKeyZFSPWDOWSHDSPZ-SNVBAGLBSA-N
XLogP2.35
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(4,7-dimethyl-2-oxochromen-5-yl)oxypropanoate
CID 2945654
methyl (2R)-2-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl)oxy]propanoate
CID 854485
methyl 2-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl)oxy]propanoate
CID 2867068
2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 4975043
4-ethyl-7-methyl-5-[(2S)-3-oxobutan-2-yl]oxychromen-2-one
CID 701525
4,7-dimethyl-5-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]oxychromen-2-one
CID 7643801
ethyl (2S)-2-(7-methyl-2-oxo-4-phenylchromen-5-yl)oxypropanoate
CID 982342
ethyl (2R)-2-[4-(4-fluorophenyl)-7-methyl-2-oxochromen-5-yl]oxypropanoate
CID 167498740
(4,7-dimethyl-2-oxochromen-5-yl) 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 5189614
methyl (2R)-2-[5-[(2R)-1-methoxy-1-oxopropan-2-yl]oxy-2-oxo-4-phenylchromen-7-yl]oxypropanoate
CID 986794
7-methyl-5-[(2S)-3-oxobutan-2-yl]oxy-4-propylchromen-2-one
CID 933118
7-methyl-5-[(2S)-3-oxobutan-2-yl]oxy-4-phenylchromen-2-one
CID 2325275

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxypropanoate?
The IUPAC name of methyl (2R)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxypropanoate (CID 969730) is methyl (2R)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxypropanoate.
What is the SMILES notation for methyl (2R)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxypropanoate?
The canonical SMILES for methyl (2R)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxypropanoate is COC(=O)[C@@H](C)Oc1cc(C)cc2oc(=O)cc(C)c12.
What is the InChIKey of methyl (2R)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxypropanoate?
The InChIKey is ZFSPWDOWSHDSPZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16O5/c1-8-5-11(19-10(3)15(17)18-4)14-9(2)7-13(16)20-12(14)6-8/h5-7,10H,1-4H3/t10-/m1/s1.
What are the key properties of methyl (2R)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxypropanoate?
methyl (2R)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxypropanoate has a molecular weight of 276.29 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxypropanoate is sourced from PubChem (CID 969730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).