3-(methoxymethoxy)-4-methylchromen-2-one

C12H12O4 — CID 90835819

IUPAC3-(methoxymethoxy)-4-methylchromen-2-one
SMILESCOCOc1c(C)c2ccccc2oc1=O
InChIInChI=1S/C12H12O4/c1-8-9-5-3-4-6-10(9)16-12(13)11(8)15-7-14-2/h3-6H,7H2,1-2H3
InChIKeyYJYJKTAXBFKCER-UHFFFAOYSA-N
MW220.22 g/mol
LogP2.08
Rot. Bonds3

About 3-(methoxymethoxy)-4-methylchromen-2-one

3-(methoxymethoxy)-4-methylchromen-2-one (PubChem CID 90835819) has the molecular formula C12H12O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is 3-(methoxymethoxy)-4-methylchromen-2-one.

Molecular Properties

Compound Name3-(methoxymethoxy)-4-methylchromen-2-one
PubChem CID90835819
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Name3-(methoxymethoxy)-4-methylchromen-2-one
SMILESCOCOc1c(C)c2ccccc2oc1=O
InChIInChI=1S/C12H12O4/c1-8-9-5-3-4-6-10(9)16-12(13)11(8)15-7-14-2/h3-6H,7H2,1-2H3
InChIKeyYJYJKTAXBFKCER-UHFFFAOYSA-N
XLogP2.08
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-methyl-3-(2-methylpropyl)chromen-2-one
CID 170712354
(4-methyl-2-oxochromen-3-yl) propanoate
CID 155490260
3,4-diethoxychromen-2-one
CID 90255816
9,10-bis(methoxymethoxy)anthracene
CID 150706504
2-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]-3-methylchromen-4-one
CID 5364281
3,4-diethylchromen-2-one
CID 11680028
4-hydroxy-3-methylchromen-2-one
CID 54687016
3-methyl-4-(phenylmethoxymethyl)chromen-2-one
CID 11346519
4-(methoxymethyl)-2-oxochromene-3-carboxamide
CID 173091593
4-(dimethylamino)-3-methylchromen-2-one
CID 87273287
3-[7-(4,5-dihydro-1,3-oxazol-2-yl)decoxy]-4-methylchromen-2-one
CID 171472685
2-(4-methoxy-2-oxochromen-3-yl)acetic acid
CID 90279946

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethoxy)-4-methylchromen-2-one?
The IUPAC name of 3-(methoxymethoxy)-4-methylchromen-2-one (CID 90835819) is 3-(methoxymethoxy)-4-methylchromen-2-one.
What is the SMILES notation for 3-(methoxymethoxy)-4-methylchromen-2-one?
The canonical SMILES for 3-(methoxymethoxy)-4-methylchromen-2-one is COCOc1c(C)c2ccccc2oc1=O.
What is the InChIKey of 3-(methoxymethoxy)-4-methylchromen-2-one?
The InChIKey is YJYJKTAXBFKCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O4/c1-8-9-5-3-4-6-10(9)16-12(13)11(8)15-7-14-2/h3-6H,7H2,1-2H3.
What are the key properties of 3-(methoxymethoxy)-4-methylchromen-2-one?
3-(methoxymethoxy)-4-methylchromen-2-one has a molecular weight of 220.22 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethoxy)-4-methylchromen-2-one is sourced from PubChem (CID 90835819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).