3-imidazol-1-yl-7-methoxy-2-methyl-2,3-dihydrochromen-4-one

C14H14N2O3 — CID 13135447

IUPAC3-imidazol-1-yl-7-methoxy-2-methyl-2,3-dihydrochromen-4-one
SMILESCOc1ccc2c(c1)OC(C)C(n1ccnc1)C2=O
InChIInChI=1S/C14H14N2O3/c1-9-13(16-6-5-15-8-16)14(17)11-4-3-10(18-2)7-12(11)19-9/h3-9,13H,1-2H3
InChIKeyCJFKUNZCKIDNLW-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.10
Rot. Bonds2

About 3-imidazol-1-yl-7-methoxy-2-methyl-2,3-dihydrochromen-4-one

3-imidazol-1-yl-7-methoxy-2-methyl-2,3-dihydrochromen-4-one (PubChem CID 13135447) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 3-imidazol-1-yl-7-methoxy-2-methyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name3-imidazol-1-yl-7-methoxy-2-methyl-2,3-dihydrochromen-4-one
PubChem CID13135447
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name3-imidazol-1-yl-7-methoxy-2-methyl-2,3-dihydrochromen-4-one
SMILESCOc1ccc2c(c1)OC(C)C(n1ccnc1)C2=O
InChIInChI=1S/C14H14N2O3/c1-9-13(16-6-5-15-8-16)14(17)11-4-3-10(18-2)7-12(11)19-9/h3-9,13H,1-2H3
InChIKeyCJFKUNZCKIDNLW-UHFFFAOYSA-N
XLogP2.10
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-7-methoxy-2-methyl-2,3-dihydrochromen-4-one?
The IUPAC name of 3-imidazol-1-yl-7-methoxy-2-methyl-2,3-dihydrochromen-4-one (CID 13135447) is 3-imidazol-1-yl-7-methoxy-2-methyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 3-imidazol-1-yl-7-methoxy-2-methyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 3-imidazol-1-yl-7-methoxy-2-methyl-2,3-dihydrochromen-4-one is COc1ccc2c(c1)OC(C)C(n1ccnc1)C2=O.
What is the InChIKey of 3-imidazol-1-yl-7-methoxy-2-methyl-2,3-dihydrochromen-4-one?
The InChIKey is CJFKUNZCKIDNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-9-13(16-6-5-15-8-16)14(17)11-4-3-10(18-2)7-12(11)19-9/h3-9,13H,1-2H3.
What are the key properties of 3-imidazol-1-yl-7-methoxy-2-methyl-2,3-dihydrochromen-4-one?
3-imidazol-1-yl-7-methoxy-2-methyl-2,3-dihydrochromen-4-one has a molecular weight of 258.28 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-7-methoxy-2-methyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 13135447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).