methyl 2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetate

C16H18O5 — CID 4914970

IUPACmethyl 2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetate
SMILESCCCc1cc(=O)oc2c(C)c(OCC(=O)OC)ccc12
InChIInChI=1S/C16H18O5/c1-4-5-11-8-14(17)21-16-10(2)13(7-6-12(11)16)20-9-15(18)19-3/h6-8H,4-5,9H2,1-3H3
InChIKeyDGZFBASRBYFYCA-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.61
Rot. Bonds5

About methyl 2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetate

methyl 2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetate (PubChem CID 4914970) has the molecular formula C16H18O5 and a molecular weight of 290.32 g/mol. Its IUPAC name is methyl 2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetate.

Molecular Properties

Compound Namemethyl 2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetate
PubChem CID4914970
Molecular FormulaC16H18O5
Molecular Weight290.32 g/mol
Exact Mass290.12
IUPAC Namemethyl 2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetate
SMILESCCCc1cc(=O)oc2c(C)c(OCC(=O)OC)ccc12
InChIInChI=1S/C16H18O5/c1-4-5-11-8-14(17)21-16-10(2)13(7-6-12(11)16)20-9-15(18)19-3/h6-8H,4-5,9H2,1-3H3
InChIKeyDGZFBASRBYFYCA-UHFFFAOYSA-N
XLogP2.61
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.61
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

propyl 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetate
CID 2271747
2-[[2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]butanedioic acid
CID 71951004
8-methyl-7-prop-2-enoxy-4-propylchromen-2-one
CID 23459774
2-[[2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]-2-phenylacetic acid
CID 3731948
8-methyl-7-[2-oxo-2-(4-pyrrolidin-1-ylphenyl)ethoxy]-4-propylchromen-2-one
CID 2205601
2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetamide
CID 770817
methyl 2-(3-ethyl-4,8-dimethyl-2-oxochromen-7-yl)oxyacetate
CID 889370
(2R)-5-(carbamoylamino)-2-[[2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]pentanoic acid
CID 26917736
(8-methyl-2-oxo-4-propylchromen-7-yl) furan-2-carboxylate
CID 906606
4-butyl-8-methyl-7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one
CID 2292470
8-methyl-7-[(E)-3-phenylprop-2-enoxy]-4-propylchromen-2-one
CID 2299144
(8-methyl-2-oxo-4-propylchromen-7-yl) (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 6568126

Frequently Asked Questions

What is the IUPAC name of methyl 2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetate?
The IUPAC name of methyl 2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetate (CID 4914970) is methyl 2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetate.
What is the SMILES notation for methyl 2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetate?
The canonical SMILES for methyl 2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetate is CCCc1cc(=O)oc2c(C)c(OCC(=O)OC)ccc12.
What is the InChIKey of methyl 2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetate?
The InChIKey is DGZFBASRBYFYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O5/c1-4-5-11-8-14(17)21-16-10(2)13(7-6-12(11)16)20-9-15(18)19-3/h6-8H,4-5,9H2,1-3H3.
What are the key properties of methyl 2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetate?
methyl 2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetate has a molecular weight of 290.32 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetate is sourced from PubChem (CID 4914970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).