7-[(1R)-2-oxocyclohexyl]oxychromen-2-one

C15H14O4 — CID 853117

IUPAC7-[(1R)-2-oxocyclohexyl]oxychromen-2-one
SMILESO=C1CCCC[C@H]1Oc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C15H14O4/c16-12-3-1-2-4-13(12)18-11-7-5-10-6-8-15(17)19-14(10)9-11/h5-9,13H,1-4H2/t13-/m1/s1
InChIKeyOMHVDZSJVYESCX-CYBMUJFWSA-N
MW258.27 g/mol
LogP2.68
Rot. Bonds2

About 7-[(1R)-2-oxocyclohexyl]oxychromen-2-one

7-[(1R)-2-oxocyclohexyl]oxychromen-2-one (PubChem CID 853117) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 7-[(1R)-2-oxocyclohexyl]oxychromen-2-one.

Molecular Properties

Compound Name7-[(1R)-2-oxocyclohexyl]oxychromen-2-one
PubChem CID853117
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name7-[(1R)-2-oxocyclohexyl]oxychromen-2-one
SMILESO=C1CCCC[C@H]1Oc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C15H14O4/c16-12-3-1-2-4-13(12)18-11-7-5-10-6-8-15(17)19-14(10)9-11/h5-9,13H,1-4H2/t13-/m1/s1
InChIKeyOMHVDZSJVYESCX-CYBMUJFWSA-N
XLogP2.68
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.68
H-Bond Donors ≤ 50
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 7-[(1R)-2-oxocyclohexyl]oxychromen-2-one?
The IUPAC name of 7-[(1R)-2-oxocyclohexyl]oxychromen-2-one (CID 853117) is 7-[(1R)-2-oxocyclohexyl]oxychromen-2-one.
What is the SMILES notation for 7-[(1R)-2-oxocyclohexyl]oxychromen-2-one?
The canonical SMILES for 7-[(1R)-2-oxocyclohexyl]oxychromen-2-one is O=C1CCCC[C@H]1Oc1ccc2ccc(=O)oc2c1.
What is the InChIKey of 7-[(1R)-2-oxocyclohexyl]oxychromen-2-one?
The InChIKey is OMHVDZSJVYESCX-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H14O4/c16-12-3-1-2-4-13(12)18-11-7-5-10-6-8-15(17)19-14(10)9-11/h5-9,13H,1-4H2/t13-/m1/s1.
What are the key properties of 7-[(1R)-2-oxocyclohexyl]oxychromen-2-one?
7-[(1R)-2-oxocyclohexyl]oxychromen-2-one has a molecular weight of 258.27 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1R)-2-oxocyclohexyl]oxychromen-2-one is sourced from PubChem (CID 853117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).