1-hydroxy-7-prop-2-enoxyxanthen-9-one

C16H12O4 — CID 163066969

IUPAC1-hydroxy-7-prop-2-enoxyxanthen-9-one
SMILESC=CCOc1ccc2oc3cccc(O)c3c(=O)c2c1
InChIInChI=1S/C16H12O4/c1-2-8-19-10-6-7-13-11(9-10)16(18)15-12(17)4-3-5-14(15)20-13/h2-7,9,17H,1,8H2
InChIKeyYBUQFOKEXSDGBR-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.22
Rot. Bonds3

About 1-hydroxy-7-prop-2-enoxyxanthen-9-one

1-hydroxy-7-prop-2-enoxyxanthen-9-one (PubChem CID 163066969) has the molecular formula C16H12O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 1-hydroxy-7-prop-2-enoxyxanthen-9-one.

Molecular Properties

Compound Name1-hydroxy-7-prop-2-enoxyxanthen-9-one
PubChem CID163066969
Molecular FormulaC16H12O4
Molecular Weight268.27 g/mol
Exact Mass268.07
IUPAC Name1-hydroxy-7-prop-2-enoxyxanthen-9-one
SMILESC=CCOc1ccc2oc3cccc(O)c3c(=O)c2c1
InChIInChI=1S/C16H12O4/c1-2-8-19-10-6-7-13-11(9-10)16(18)15-12(17)4-3-5-14(15)20-13/h2-7,9,17H,1,8H2
InChIKeyYBUQFOKEXSDGBR-UHFFFAOYSA-N
XLogP3.22
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-7-prop-2-enoxyxanthen-9-one?
The IUPAC name of 1-hydroxy-7-prop-2-enoxyxanthen-9-one (CID 163066969) is 1-hydroxy-7-prop-2-enoxyxanthen-9-one.
What is the SMILES notation for 1-hydroxy-7-prop-2-enoxyxanthen-9-one?
The canonical SMILES for 1-hydroxy-7-prop-2-enoxyxanthen-9-one is C=CCOc1ccc2oc3cccc(O)c3c(=O)c2c1.
What is the InChIKey of 1-hydroxy-7-prop-2-enoxyxanthen-9-one?
The InChIKey is YBUQFOKEXSDGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O4/c1-2-8-19-10-6-7-13-11(9-10)16(18)15-12(17)4-3-5-14(15)20-13/h2-7,9,17H,1,8H2.
What are the key properties of 1-hydroxy-7-prop-2-enoxyxanthen-9-one?
1-hydroxy-7-prop-2-enoxyxanthen-9-one has a molecular weight of 268.27 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-7-prop-2-enoxyxanthen-9-one is sourced from PubChem (CID 163066969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).