4-cyclohexyl-5,7-dihydroxychromen-2-one

C15H16O4 — CID 87573442

IUPAC4-cyclohexyl-5,7-dihydroxychromen-2-one
SMILESO=c1cc(C2CCCCC2)c2c(O)cc(O)cc2o1
InChIInChI=1S/C15H16O4/c16-10-6-12(17)15-11(9-4-2-1-3-5-9)8-14(18)19-13(15)7-10/h6-9,16-17H,1-5H2
InChIKeyXDZDFDDMHOFMEE-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.25
Rot. Bonds1

About 4-cyclohexyl-5,7-dihydroxychromen-2-one

4-cyclohexyl-5,7-dihydroxychromen-2-one (PubChem CID 87573442) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-cyclohexyl-5,7-dihydroxychromen-2-one.

Molecular Properties

Compound Name4-cyclohexyl-5,7-dihydroxychromen-2-one
PubChem CID87573442
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name4-cyclohexyl-5,7-dihydroxychromen-2-one
SMILESO=c1cc(C2CCCCC2)c2c(O)cc(O)cc2o1
InChIInChI=1S/C15H16O4/c16-10-6-12(17)15-11(9-4-2-1-3-5-9)8-14(18)19-13(15)7-10/h6-9,16-17H,1-5H2
InChIKeyXDZDFDDMHOFMEE-UHFFFAOYSA-N
XLogP3.25
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-5,7-dihydroxychromen-2-one?
The IUPAC name of 4-cyclohexyl-5,7-dihydroxychromen-2-one (CID 87573442) is 4-cyclohexyl-5,7-dihydroxychromen-2-one.
What is the SMILES notation for 4-cyclohexyl-5,7-dihydroxychromen-2-one?
The canonical SMILES for 4-cyclohexyl-5,7-dihydroxychromen-2-one is O=c1cc(C2CCCCC2)c2c(O)cc(O)cc2o1.
What is the InChIKey of 4-cyclohexyl-5,7-dihydroxychromen-2-one?
The InChIKey is XDZDFDDMHOFMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c16-10-6-12(17)15-11(9-4-2-1-3-5-9)8-14(18)19-13(15)7-10/h6-9,16-17H,1-5H2.
What are the key properties of 4-cyclohexyl-5,7-dihydroxychromen-2-one?
4-cyclohexyl-5,7-dihydroxychromen-2-one has a molecular weight of 260.29 g/mol, XLogP of 3.25, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-5,7-dihydroxychromen-2-one is sourced from PubChem (CID 87573442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).