7-hydroxy-2-(2-hydroxypropyl)-5-methylchromen-4-one

C13H14O4 — CID 5318230

IUPAC7-hydroxy-2-(2-hydroxypropyl)-5-methylchromen-4-one
SMILESCc1cc(O)cc2oc(CC(C)O)cc(=O)c12
InChIInChI=1S/C13H14O4/c1-7-3-9(15)5-12-13(7)11(16)6-10(17-12)4-8(2)14/h3,5-6,8,14-15H,4H2,1-2H3
InChIKeyZYCNQWOKCMJKEZ-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.73
Rot. Bonds2

About 7-hydroxy-2-(2-hydroxypropyl)-5-methylchromen-4-one

7-hydroxy-2-(2-hydroxypropyl)-5-methylchromen-4-one (PubChem CID 5318230) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is 7-hydroxy-2-(2-hydroxypropyl)-5-methylchromen-4-one.

Molecular Properties

Compound Name7-hydroxy-2-(2-hydroxypropyl)-5-methylchromen-4-one
PubChem CID5318230
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Name7-hydroxy-2-(2-hydroxypropyl)-5-methylchromen-4-one
SMILESCc1cc(O)cc2oc(CC(C)O)cc(=O)c12
InChIInChI=1S/C13H14O4/c1-7-3-9(15)5-12-13(7)11(16)6-10(17-12)4-8(2)14/h3,5-6,8,14-15H,4H2,1-2H3
InChIKeyZYCNQWOKCMJKEZ-UHFFFAOYSA-N
XLogP1.73
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-(2-hydroxypropyl)-5-methylchromen-4-one?
The IUPAC name of 7-hydroxy-2-(2-hydroxypropyl)-5-methylchromen-4-one (CID 5318230) is 7-hydroxy-2-(2-hydroxypropyl)-5-methylchromen-4-one.
What is the SMILES notation for 7-hydroxy-2-(2-hydroxypropyl)-5-methylchromen-4-one?
The canonical SMILES for 7-hydroxy-2-(2-hydroxypropyl)-5-methylchromen-4-one is Cc1cc(O)cc2oc(CC(C)O)cc(=O)c12.
What is the InChIKey of 7-hydroxy-2-(2-hydroxypropyl)-5-methylchromen-4-one?
The InChIKey is ZYCNQWOKCMJKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O4/c1-7-3-9(15)5-12-13(7)11(16)6-10(17-12)4-8(2)14/h3,5-6,8,14-15H,4H2,1-2H3.
What are the key properties of 7-hydroxy-2-(2-hydroxypropyl)-5-methylchromen-4-one?
7-hydroxy-2-(2-hydroxypropyl)-5-methylchromen-4-one has a molecular weight of 234.25 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-(2-hydroxypropyl)-5-methylchromen-4-one is sourced from PubChem (CID 5318230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).