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

C15H16O5 — CID 14524536

IUPAC7-hydroxy-5-(4-hydroxy-2-oxopentyl)-2-methylchromen-4-one
SMILESCc1cc(=O)c2c(CC(=O)CC(C)O)cc(O)cc2o1
InChIInChI=1S/C15H16O5/c1-8(16)3-11(17)5-10-6-12(18)7-14-15(10)13(19)4-9(2)20-14/h4,6-8,16,18H,3,5H2,1-2H3
InChIKeyXOIBXQZOQRFNNG-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.69
Rot. Bonds4

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

7-hydroxy-5-(4-hydroxy-2-oxopentyl)-2-methylchromen-4-one (PubChem CID 14524536) has the molecular formula C15H16O5 and a molecular weight of 276.29 g/mol. Its IUPAC name is 7-hydroxy-5-(4-hydroxy-2-oxopentyl)-2-methylchromen-4-one.

Molecular Properties

Compound Name7-hydroxy-5-(4-hydroxy-2-oxopentyl)-2-methylchromen-4-one
PubChem CID14524536
Molecular FormulaC15H16O5
Molecular Weight276.29 g/mol
Exact Mass276.10
IUPAC Name7-hydroxy-5-(4-hydroxy-2-oxopentyl)-2-methylchromen-4-one
SMILESCc1cc(=O)c2c(CC(=O)CC(C)O)cc(O)cc2o1
InChIInChI=1S/C15H16O5/c1-8(16)3-11(17)5-10-6-12(18)7-14-15(10)13(19)4-9(2)20-14/h4,6-8,16,18H,3,5H2,1-2H3
InChIKeyXOIBXQZOQRFNNG-UHFFFAOYSA-N
XLogP1.69
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-5-(4-hydroxy-2-oxopentyl)-2-methylchromen-4-one?
The IUPAC name of 7-hydroxy-5-(4-hydroxy-2-oxopentyl)-2-methylchromen-4-one (CID 14524536) is 7-hydroxy-5-(4-hydroxy-2-oxopentyl)-2-methylchromen-4-one.
What is the SMILES notation for 7-hydroxy-5-(4-hydroxy-2-oxopentyl)-2-methylchromen-4-one?
The canonical SMILES for 7-hydroxy-5-(4-hydroxy-2-oxopentyl)-2-methylchromen-4-one is Cc1cc(=O)c2c(CC(=O)CC(C)O)cc(O)cc2o1.
What is the InChIKey of 7-hydroxy-5-(4-hydroxy-2-oxopentyl)-2-methylchromen-4-one?
The InChIKey is XOIBXQZOQRFNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O5/c1-8(16)3-11(17)5-10-6-12(18)7-14-15(10)13(19)4-9(2)20-14/h4,6-8,16,18H,3,5H2,1-2H3.
What are the key properties of 7-hydroxy-5-(4-hydroxy-2-oxopentyl)-2-methylchromen-4-one?
7-hydroxy-5-(4-hydroxy-2-oxopentyl)-2-methylchromen-4-one has a molecular weight of 276.29 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-5-(4-hydroxy-2-oxopentyl)-2-methylchromen-4-one is sourced from PubChem (CID 14524536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).