7-(methoxymethyl)-5,6-dihydrochromen-4-one

C11H12O3 — CID 129145777

IUPAC7-(methoxymethyl)-5,6-dihydrochromen-4-one
SMILESCOCC1=Cc2occc(=O)c2CC1
InChIInChI=1S/C11H12O3/c1-13-7-8-2-3-9-10(12)4-5-14-11(9)6-8/h4-6H,2-3,7H2,1H3
InChIKeyUJQLBOQBTCYERM-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.62
Rot. Bonds2

About 7-(methoxymethyl)-5,6-dihydrochromen-4-one

7-(methoxymethyl)-5,6-dihydrochromen-4-one (PubChem CID 129145777) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 7-(methoxymethyl)-5,6-dihydrochromen-4-one.

Molecular Properties

Compound Name7-(methoxymethyl)-5,6-dihydrochromen-4-one
PubChem CID129145777
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name7-(methoxymethyl)-5,6-dihydrochromen-4-one
SMILESCOCC1=Cc2occc(=O)c2CC1
InChIInChI=1S/C11H12O3/c1-13-7-8-2-3-9-10(12)4-5-14-11(9)6-8/h4-6H,2-3,7H2,1H3
InChIKeyUJQLBOQBTCYERM-UHFFFAOYSA-N
XLogP1.62
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(methoxymethyl)-5,6-dihydrochromen-4-one?
The IUPAC name of 7-(methoxymethyl)-5,6-dihydrochromen-4-one (CID 129145777) is 7-(methoxymethyl)-5,6-dihydrochromen-4-one.
What is the SMILES notation for 7-(methoxymethyl)-5,6-dihydrochromen-4-one?
The canonical SMILES for 7-(methoxymethyl)-5,6-dihydrochromen-4-one is COCC1=Cc2occc(=O)c2CC1.
What is the InChIKey of 7-(methoxymethyl)-5,6-dihydrochromen-4-one?
The InChIKey is UJQLBOQBTCYERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-13-7-8-2-3-9-10(12)4-5-14-11(9)6-8/h4-6H,2-3,7H2,1H3.
What are the key properties of 7-(methoxymethyl)-5,6-dihydrochromen-4-one?
7-(methoxymethyl)-5,6-dihydrochromen-4-one has a molecular weight of 192.21 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methoxymethyl)-5,6-dihydrochromen-4-one is sourced from PubChem (CID 129145777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).