8H-phenanthro[9,10-d][1,3]dioxol-7-one

C15H10O3 — CID 141417456

IUPAC8H-phenanthro[9,10-d][1,3]dioxol-7-one
SMILESO=C1C=CC=c2c3c(c4c(c21)CC=CC=4)OCO3
InChIInChI=1S/C15H10O3/c16-12-7-3-6-11-13(12)9-4-1-2-5-10(9)14-15(11)18-8-17-14/h1-3,5-7H,4,8H2
InChIKeyLUQNIQXWMBORJA-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.84
Rot. Bonds

About 8H-phenanthro[9,10-d][1,3]dioxol-7-one

8H-phenanthro[9,10-d][1,3]dioxol-7-one (PubChem CID 141417456) has the molecular formula C15H10O3 and a molecular weight of 238.24 g/mol. Its IUPAC name is 8H-phenanthro[9,10-d][1,3]dioxol-7-one.

Molecular Properties

Compound Name8H-phenanthro[9,10-d][1,3]dioxol-7-one
PubChem CID141417456
Molecular FormulaC15H10O3
Molecular Weight238.24 g/mol
Exact Mass238.06
IUPAC Name8H-phenanthro[9,10-d][1,3]dioxol-7-one
SMILESO=C1C=CC=c2c3c(c4c(c21)CC=CC=4)OCO3
InChIInChI=1S/C15H10O3/c16-12-7-3-6-11-13(12)9-4-1-2-5-10(9)14-15(11)18-8-17-14/h1-3,5-7H,4,8H2
InChIKeyLUQNIQXWMBORJA-UHFFFAOYSA-N
XLogP0.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8H-phenanthro[9,10-d][1,3]dioxol-7-one?
The IUPAC name of 8H-phenanthro[9,10-d][1,3]dioxol-7-one (CID 141417456) is 8H-phenanthro[9,10-d][1,3]dioxol-7-one.
What is the SMILES notation for 8H-phenanthro[9,10-d][1,3]dioxol-7-one?
The canonical SMILES for 8H-phenanthro[9,10-d][1,3]dioxol-7-one is O=C1C=CC=c2c3c(c4c(c21)CC=CC=4)OCO3.
What is the InChIKey of 8H-phenanthro[9,10-d][1,3]dioxol-7-one?
The InChIKey is LUQNIQXWMBORJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O3/c16-12-7-3-6-11-13(12)9-4-1-2-5-10(9)14-15(11)18-8-17-14/h1-3,5-7H,4,8H2.
What are the key properties of 8H-phenanthro[9,10-d][1,3]dioxol-7-one?
8H-phenanthro[9,10-d][1,3]dioxol-7-one has a molecular weight of 238.24 g/mol, XLogP of 0.84, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8H-phenanthro[9,10-d][1,3]dioxol-7-one is sourced from PubChem (CID 141417456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).