methyl (2R)-2-[3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxochromen-7-yl]oxypropanoate

C17H18O7 — CID 907412

IUPACmethyl (2R)-2-[3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxochromen-7-yl]oxypropanoate
SMILESCOC(=O)Cc1c(C)c2ccc(O[C@H](C)C(=O)OC)cc2oc1=O
InChIInChI=1S/C17H18O7/c1-9-12-6-5-11(23-10(2)16(19)22-4)7-14(12)24-17(20)13(9)8-15(18)21-3/h5-7,10H,8H2,1-4H3/t10-/m1/s1
InChIKeyVOKPSSGSGQMPKG-SNVBAGLBSA-N
MW334.32 g/mol
LogP1.76
Rot. Bonds5

About methyl (2R)-2-[3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxochromen-7-yl]oxypropanoate

methyl (2R)-2-[3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxochromen-7-yl]oxypropanoate (PubChem CID 907412) has the molecular formula C17H18O7 and a molecular weight of 334.32 g/mol. Its IUPAC name is methyl (2R)-2-[3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxochromen-7-yl]oxypropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxochromen-7-yl]oxypropanoate
PubChem CID907412
Molecular FormulaC17H18O7
Molecular Weight334.32 g/mol
Exact Mass334.11
IUPAC Namemethyl (2R)-2-[3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxochromen-7-yl]oxypropanoate
SMILESCOC(=O)Cc1c(C)c2ccc(O[C@H](C)C(=O)OC)cc2oc1=O
InChIInChI=1S/C17H18O7/c1-9-12-6-5-11(23-10(2)16(19)22-4)7-14(12)24-17(20)13(9)8-15(18)21-3/h5-7,10H,8H2,1-4H3/t10-/m1/s1
InChIKeyVOKPSSGSGQMPKG-SNVBAGLBSA-N
XLogP1.76
TPSA92.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[4-methyl-2-oxo-7-[(2R)-3-oxobutan-2-yl]oxychromen-3-yl]acetate
CID 906861
methyl 2-[4-methyl-2-oxo-7-[(2S)-1-oxo-1-phenylpropan-2-yl]oxychromen-3-yl]acetate
CID 1307141
methyl 2-(7-amino-4-methyl-2-oxochromen-3-yl)acetate
CID 86668467
methyl 2-[7-[(4-bromophenyl)methoxy]-4-methyl-2-oxochromen-3-yl]acetate
CID 1307271
methyl 2-[7-[2-(diethylamino)-2-oxoethoxy]-4-methyl-2-oxochromen-3-yl]acetate
CID 1297076
2-(4-methyl-2-oxo-3-propylchromen-7-yl)oxypropanoic acid
CID 3645981
2-[4-methyl-3-(2-methylpropyl)-2-oxochromen-7-yl]oxypropanoate
CID 3706072
(2R)-2-(4-methyl-2-oxo-3-propylchromen-7-yl)oxypropanoic acid
CID 701615
(2S)-2-[4-methyl-3-(2-methylpropyl)-2-oxochromen-7-yl]oxypropanoate
CID 6922533
methyl 2-[6-chloro-4-methyl-2-oxo-7-(3-oxobutan-2-yloxy)chromen-3-yl]acetate
CID 2946152
2-[2-(3-hexyl-4-methyl-2-oxochromen-7-yl)oxypropanoylamino]propanoic acid
CID 3842138
(2R)-2-[[2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]pentanoic acid
CID 907922

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxochromen-7-yl]oxypropanoate?
The IUPAC name of methyl (2R)-2-[3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxochromen-7-yl]oxypropanoate (CID 907412) is methyl (2R)-2-[3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxochromen-7-yl]oxypropanoate.
What is the SMILES notation for methyl (2R)-2-[3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxochromen-7-yl]oxypropanoate?
The canonical SMILES for methyl (2R)-2-[3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxochromen-7-yl]oxypropanoate is COC(=O)Cc1c(C)c2ccc(O[C@H](C)C(=O)OC)cc2oc1=O.
What is the InChIKey of methyl (2R)-2-[3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxochromen-7-yl]oxypropanoate?
The InChIKey is VOKPSSGSGQMPKG-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H18O7/c1-9-12-6-5-11(23-10(2)16(19)22-4)7-14(12)24-17(20)13(9)8-15(18)21-3/h5-7,10H,8H2,1-4H3/t10-/m1/s1.
What are the key properties of methyl (2R)-2-[3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxochromen-7-yl]oxypropanoate?
methyl (2R)-2-[3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxochromen-7-yl]oxypropanoate has a molecular weight of 334.32 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxochromen-7-yl]oxypropanoate is sourced from PubChem (CID 907412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).