8-cyclobutyloxy-9-fluoro-3-hydroxybenzo[c]chromen-6-one

C17H13FO4 — CID 167646162

IUPAC8-cyclobutyloxy-9-fluoro-3-hydroxybenzo[c]chromen-6-one
SMILESO=c1oc2cc(O)ccc2c2cc(F)c(OC3CCC3)cc12
InChIInChI=1S/C17H13FO4/c18-14-7-12-11-5-4-9(19)6-15(11)22-17(20)13(12)8-16(14)21-10-2-1-3-10/h4-8,10,19H,1-3H2
InChIKeyMLYHHCIMMHBANP-UHFFFAOYSA-N
MW300.28 g/mol
LogP3.72
Rot. Bonds2

About 8-cyclobutyloxy-9-fluoro-3-hydroxybenzo[c]chromen-6-one

8-cyclobutyloxy-9-fluoro-3-hydroxybenzo[c]chromen-6-one (PubChem CID 167646162) has the molecular formula C17H13FO4 and a molecular weight of 300.28 g/mol. Its IUPAC name is 8-cyclobutyloxy-9-fluoro-3-hydroxybenzo[c]chromen-6-one.

Molecular Properties

Compound Name8-cyclobutyloxy-9-fluoro-3-hydroxybenzo[c]chromen-6-one
PubChem CID167646162
Molecular FormulaC17H13FO4
Molecular Weight300.28 g/mol
Exact Mass300.08
IUPAC Name8-cyclobutyloxy-9-fluoro-3-hydroxybenzo[c]chromen-6-one
SMILESO=c1oc2cc(O)ccc2c2cc(F)c(OC3CCC3)cc12
InChIInChI=1S/C17H13FO4/c18-14-7-12-11-5-4-9(19)6-15(11)22-17(20)13(12)8-16(14)21-10-2-1-3-10/h4-8,10,19H,1-3H2
InChIKeyMLYHHCIMMHBANP-UHFFFAOYSA-N
XLogP3.72
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-cyclobutyloxy-9-fluoro-3-hydroxybenzo[c]chromen-6-one?
The IUPAC name of 8-cyclobutyloxy-9-fluoro-3-hydroxybenzo[c]chromen-6-one (CID 167646162) is 8-cyclobutyloxy-9-fluoro-3-hydroxybenzo[c]chromen-6-one.
What is the SMILES notation for 8-cyclobutyloxy-9-fluoro-3-hydroxybenzo[c]chromen-6-one?
The canonical SMILES for 8-cyclobutyloxy-9-fluoro-3-hydroxybenzo[c]chromen-6-one is O=c1oc2cc(O)ccc2c2cc(F)c(OC3CCC3)cc12.
What is the InChIKey of 8-cyclobutyloxy-9-fluoro-3-hydroxybenzo[c]chromen-6-one?
The InChIKey is MLYHHCIMMHBANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FO4/c18-14-7-12-11-5-4-9(19)6-15(11)22-17(20)13(12)8-16(14)21-10-2-1-3-10/h4-8,10,19H,1-3H2.
What are the key properties of 8-cyclobutyloxy-9-fluoro-3-hydroxybenzo[c]chromen-6-one?
8-cyclobutyloxy-9-fluoro-3-hydroxybenzo[c]chromen-6-one has a molecular weight of 300.28 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclobutyloxy-9-fluoro-3-hydroxybenzo[c]chromen-6-one is sourced from PubChem (CID 167646162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).