2,2-bis(methoxymethyl)-4H-chromen-3-one

C13H16O4 — CID 57163474

IUPAC2,2-bis(methoxymethyl)-4H-chromen-3-one
SMILESCOCC1(COC)Oc2ccccc2CC1=O
InChIInChI=1S/C13H16O4/c1-15-8-13(9-16-2)12(14)7-10-5-3-4-6-11(10)17-13/h3-6H,7-9H2,1-2H3
InChIKeyAPYNEAKRPHXJKD-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.22
Rot. Bonds4

About 2,2-bis(methoxymethyl)-4H-chromen-3-one

2,2-bis(methoxymethyl)-4H-chromen-3-one (PubChem CID 57163474) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2,2-bis(methoxymethyl)-4H-chromen-3-one.

Molecular Properties

Compound Name2,2-bis(methoxymethyl)-4H-chromen-3-one
PubChem CID57163474
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name2,2-bis(methoxymethyl)-4H-chromen-3-one
SMILESCOCC1(COC)Oc2ccccc2CC1=O
InChIInChI=1S/C13H16O4/c1-15-8-13(9-16-2)12(14)7-10-5-3-4-6-11(10)17-13/h3-6H,7-9H2,1-2H3
InChIKeyAPYNEAKRPHXJKD-UHFFFAOYSA-N
XLogP1.22
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-butyl-2-phenyl-4H-chromen-3-one
CID 175056331
2-heptyl-2-phenyl-4H-chromen-3-one
CID 174261213
10,10-bis(methoxymethyl)-9H-anthracene
CID 22140519
2-methoxy-2-methyl-3,4-dihydrochromene
CID 15054836
3,3'-dimethylidene-2,2'-spirobi[4H-chromene]
CID 19084225
[(1S)-1-(methoxymethyl)-3,4-dihydroisochromen-1-yl]methanamine
CID 100659874
(3R)-3-(methoxymethyl)-3,4-dihydrochromen-2-one
CID 14941867
1-(4-acetylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-1'-yl)-3-methoxypropan-1-one
CID 95853985
3,3-dimethyl-2-benzofuran-1-one;2,2-dimethyl-4H-chromen-3-one;3-ethyl-5,5-dimethyl-1,3-oxazolidin-2-one
CID 158424860
methyl 3-[(2,2-dimethyl-3,4-dihydrochromen-3-yl)amino]propanoate
CID 54420076
9H-xanthene
CID 7107
(2S)-2-methyl-4H-chromen-3-one
CID 129362501

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(methoxymethyl)-4H-chromen-3-one?
The IUPAC name of 2,2-bis(methoxymethyl)-4H-chromen-3-one (CID 57163474) is 2,2-bis(methoxymethyl)-4H-chromen-3-one.
What is the SMILES notation for 2,2-bis(methoxymethyl)-4H-chromen-3-one?
The canonical SMILES for 2,2-bis(methoxymethyl)-4H-chromen-3-one is COCC1(COC)Oc2ccccc2CC1=O.
What is the InChIKey of 2,2-bis(methoxymethyl)-4H-chromen-3-one?
The InChIKey is APYNEAKRPHXJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-15-8-13(9-16-2)12(14)7-10-5-3-4-6-11(10)17-13/h3-6H,7-9H2,1-2H3.
What are the key properties of 2,2-bis(methoxymethyl)-4H-chromen-3-one?
2,2-bis(methoxymethyl)-4H-chromen-3-one has a molecular weight of 236.27 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(methoxymethyl)-4H-chromen-3-one is sourced from PubChem (CID 57163474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).