7-hydroxy-3-imidazol-1-yl-2-methyl-6-propyl-2,3-dihydrochromen-4-one

C16H18N2O3 — CID 13135463

IUPAC7-hydroxy-3-imidazol-1-yl-2-methyl-6-propyl-2,3-dihydrochromen-4-one
SMILESCCCc1cc2c(cc1O)OC(C)C(n1ccnc1)C2=O
InChIInChI=1S/C16H18N2O3/c1-3-4-11-7-12-14(8-13(11)19)21-10(2)15(16(12)20)18-6-5-17-9-18/h5-10,15,19H,3-4H2,1-2H3
InChIKeyFEKOZEVFHOOMHA-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.75
Rot. Bonds3

About 7-hydroxy-3-imidazol-1-yl-2-methyl-6-propyl-2,3-dihydrochromen-4-one

7-hydroxy-3-imidazol-1-yl-2-methyl-6-propyl-2,3-dihydrochromen-4-one (PubChem CID 13135463) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 7-hydroxy-3-imidazol-1-yl-2-methyl-6-propyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name7-hydroxy-3-imidazol-1-yl-2-methyl-6-propyl-2,3-dihydrochromen-4-one
PubChem CID13135463
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name7-hydroxy-3-imidazol-1-yl-2-methyl-6-propyl-2,3-dihydrochromen-4-one
SMILESCCCc1cc2c(cc1O)OC(C)C(n1ccnc1)C2=O
InChIInChI=1S/C16H18N2O3/c1-3-4-11-7-12-14(8-13(11)19)21-10(2)15(16(12)20)18-6-5-17-9-18/h5-10,15,19H,3-4H2,1-2H3
InChIKeyFEKOZEVFHOOMHA-UHFFFAOYSA-N
XLogP2.75
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-imidazol-1-yl-2-methyl-6-propyl-2,3-dihydrochromen-4-one?
The IUPAC name of 7-hydroxy-3-imidazol-1-yl-2-methyl-6-propyl-2,3-dihydrochromen-4-one (CID 13135463) is 7-hydroxy-3-imidazol-1-yl-2-methyl-6-propyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 7-hydroxy-3-imidazol-1-yl-2-methyl-6-propyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 7-hydroxy-3-imidazol-1-yl-2-methyl-6-propyl-2,3-dihydrochromen-4-one is CCCc1cc2c(cc1O)OC(C)C(n1ccnc1)C2=O.
What is the InChIKey of 7-hydroxy-3-imidazol-1-yl-2-methyl-6-propyl-2,3-dihydrochromen-4-one?
The InChIKey is FEKOZEVFHOOMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-3-4-11-7-12-14(8-13(11)19)21-10(2)15(16(12)20)18-6-5-17-9-18/h5-10,15,19H,3-4H2,1-2H3.
What are the key properties of 7-hydroxy-3-imidazol-1-yl-2-methyl-6-propyl-2,3-dihydrochromen-4-one?
7-hydroxy-3-imidazol-1-yl-2-methyl-6-propyl-2,3-dihydrochromen-4-one has a molecular weight of 286.33 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-imidazol-1-yl-2-methyl-6-propyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 13135463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).