8-phenyl-[1,3]dioxolo[4,5-f]isochromen-6-one

C16H10O4 — CID 139694615

IUPAC8-phenyl-[1,3]dioxolo[4,5-f]isochromen-6-one
SMILESO=c1oc(-c2ccccc2)cc2c3c(ccc12)OCO3
InChIInChI=1S/C16H10O4/c17-16-11-6-7-13-15(19-9-18-13)12(11)8-14(20-16)10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyNCPXNGHAHQFZEP-UHFFFAOYSA-N
MW266.25 g/mol
LogP3.19
Rot. Bonds1

About 8-phenyl-[1,3]dioxolo[4,5-f]isochromen-6-one

8-phenyl-[1,3]dioxolo[4,5-f]isochromen-6-one (PubChem CID 139694615) has the molecular formula C16H10O4 and a molecular weight of 266.25 g/mol. Its IUPAC name is 8-phenyl-[1,3]dioxolo[4,5-f]isochromen-6-one.

Molecular Properties

Compound Name8-phenyl-[1,3]dioxolo[4,5-f]isochromen-6-one
PubChem CID139694615
Molecular FormulaC16H10O4
Molecular Weight266.25 g/mol
Exact Mass266.06
IUPAC Name8-phenyl-[1,3]dioxolo[4,5-f]isochromen-6-one
SMILESO=c1oc(-c2ccccc2)cc2c3c(ccc12)OCO3
InChIInChI=1S/C16H10O4/c17-16-11-6-7-13-15(19-9-18-13)12(11)8-14(20-16)10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyNCPXNGHAHQFZEP-UHFFFAOYSA-N
XLogP3.19
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 8-phenyl-[1,3]dioxolo[4,5-f]isochromen-6-one?
The IUPAC name of 8-phenyl-[1,3]dioxolo[4,5-f]isochromen-6-one (CID 139694615) is 8-phenyl-[1,3]dioxolo[4,5-f]isochromen-6-one.
What is the SMILES notation for 8-phenyl-[1,3]dioxolo[4,5-f]isochromen-6-one?
The canonical SMILES for 8-phenyl-[1,3]dioxolo[4,5-f]isochromen-6-one is O=c1oc(-c2ccccc2)cc2c3c(ccc12)OCO3.
What is the InChIKey of 8-phenyl-[1,3]dioxolo[4,5-f]isochromen-6-one?
The InChIKey is NCPXNGHAHQFZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O4/c17-16-11-6-7-13-15(19-9-18-13)12(11)8-14(20-16)10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 8-phenyl-[1,3]dioxolo[4,5-f]isochromen-6-one?
8-phenyl-[1,3]dioxolo[4,5-f]isochromen-6-one has a molecular weight of 266.25 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-[1,3]dioxolo[4,5-f]isochromen-6-one is sourced from PubChem (CID 139694615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).