(7-methoxy-2-oxochromen-4-yl)methyl 2-methylpropanoate

C15H16O5 — CID 7782409

IUPAC(7-methoxy-2-oxochromen-4-yl)methyl 2-methylpropanoate
SMILESCOc1ccc2c(COC(=O)C(C)C)cc(=O)oc2c1
InChIInChI=1S/C15H16O5/c1-9(2)15(17)19-8-10-6-14(16)20-13-7-11(18-3)4-5-12(10)13/h4-7,9H,8H2,1-3H3
InChIKeyRYOMZCBYDNRMIU-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.50
Rot. Bonds4

About (7-methoxy-2-oxochromen-4-yl)methyl 2-methylpropanoate

(7-methoxy-2-oxochromen-4-yl)methyl 2-methylpropanoate (PubChem CID 7782409) has the molecular formula C15H16O5 and a molecular weight of 276.29 g/mol. Its IUPAC name is (7-methoxy-2-oxochromen-4-yl)methyl 2-methylpropanoate.

Molecular Properties

Compound Name(7-methoxy-2-oxochromen-4-yl)methyl 2-methylpropanoate
PubChem CID7782409
Molecular FormulaC15H16O5
Molecular Weight276.29 g/mol
Exact Mass276.10
IUPAC Name(7-methoxy-2-oxochromen-4-yl)methyl 2-methylpropanoate
SMILESCOc1ccc2c(COC(=O)C(C)C)cc(=O)oc2c1
InChIInChI=1S/C15H16O5/c1-9(2)15(17)19-8-10-6-14(16)20-13-7-11(18-3)4-5-12(10)13/h4-7,9H,8H2,1-3H3
InChIKeyRYOMZCBYDNRMIU-UHFFFAOYSA-N
XLogP2.50
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.50
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

(7-methoxy-2-oxochromen-4-yl)methyl (2S)-2-phenylsulfanylpropanoate
CID 7806445
(7-methoxy-2-oxochromen-4-yl)methyl (3S)-3-phenylbutanoate
CID 7227766
(7-methoxy-2-oxochromen-4-yl)methyl 2-(3-chlorophenoxy)propanoate
CID 46793705
(7-methoxy-2-oxochromen-4-yl)methyl 2-iodobenzoate
CID 3876899
(7-methoxy-2-oxochromen-4-yl)methyl (2S)-2-phenoxybutanoate
CID 7229879
(7-methoxy-2-oxochromen-4-yl)methyl 3,4,5-trimethoxybenzoate
CID 3971708
(7-methoxy-2-oxochromen-4-yl)methyl 4-hydroxybutanoate
CID 10565549
(7-methoxy-2-oxochromen-4-yl)methyl 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
CID 3933815
(7-methoxy-2-oxochromen-4-yl)methyl 2,4-dimethylbenzoate
CID 7796060
(7-methoxy-2-oxochromen-4-yl)methyl 3-aminopyrazine-2-carboxylate
CID 7469232
(7-methoxy-2-oxochromen-4-yl)methyl 2-phenylsulfanylacetate
CID 4544422
(7-methoxy-2-oxochromen-4-yl)methyl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 4857472

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-2-oxochromen-4-yl)methyl 2-methylpropanoate?
The IUPAC name of (7-methoxy-2-oxochromen-4-yl)methyl 2-methylpropanoate (CID 7782409) is (7-methoxy-2-oxochromen-4-yl)methyl 2-methylpropanoate.
What is the SMILES notation for (7-methoxy-2-oxochromen-4-yl)methyl 2-methylpropanoate?
The canonical SMILES for (7-methoxy-2-oxochromen-4-yl)methyl 2-methylpropanoate is COc1ccc2c(COC(=O)C(C)C)cc(=O)oc2c1.
What is the InChIKey of (7-methoxy-2-oxochromen-4-yl)methyl 2-methylpropanoate?
The InChIKey is RYOMZCBYDNRMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O5/c1-9(2)15(17)19-8-10-6-14(16)20-13-7-11(18-3)4-5-12(10)13/h4-7,9H,8H2,1-3H3.
What are the key properties of (7-methoxy-2-oxochromen-4-yl)methyl 2-methylpropanoate?
(7-methoxy-2-oxochromen-4-yl)methyl 2-methylpropanoate has a molecular weight of 276.29 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-2-oxochromen-4-yl)methyl 2-methylpropanoate is sourced from PubChem (CID 7782409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).