2,6-dimethyl-2-phenyl-[1,3]dioxolo[4,5-h]chromen-8-one

C18H14O4 — CID 11087672

IUPAC2,6-dimethyl-2-phenyl-[1,3]dioxolo[4,5-h]chromen-8-one
SMILESCc1cc(=O)oc2c3c(ccc12)OC(C)(c1ccccc1)O3
InChIInChI=1S/C18H14O4/c1-11-10-15(19)20-16-13(11)8-9-14-17(16)22-18(2,21-14)12-6-4-3-5-7-12/h3-10H,1-2H3
InChIKeyYMGZORLESXHPRU-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.75
Rot. Bonds1

About 2,6-dimethyl-2-phenyl-[1,3]dioxolo[4,5-h]chromen-8-one

2,6-dimethyl-2-phenyl-[1,3]dioxolo[4,5-h]chromen-8-one (PubChem CID 11087672) has the molecular formula C18H14O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2,6-dimethyl-2-phenyl-[1,3]dioxolo[4,5-h]chromen-8-one.

Molecular Properties

Compound Name2,6-dimethyl-2-phenyl-[1,3]dioxolo[4,5-h]chromen-8-one
PubChem CID11087672
Molecular FormulaC18H14O4
Molecular Weight294.31 g/mol
Exact Mass294.09
IUPAC Name2,6-dimethyl-2-phenyl-[1,3]dioxolo[4,5-h]chromen-8-one
SMILESCc1cc(=O)oc2c3c(ccc12)OC(C)(c1ccccc1)O3
InChIInChI=1S/C18H14O4/c1-11-10-15(19)20-16-13(11)8-9-14-17(16)22-18(2,21-14)12-6-4-3-5-7-12/h3-10H,1-2H3
InChIKeyYMGZORLESXHPRU-UHFFFAOYSA-N
XLogP3.75
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.75
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 2,6-dimethyl-2-phenyl-[1,3]dioxolo[4,5-h]chromen-8-one?
The IUPAC name of 2,6-dimethyl-2-phenyl-[1,3]dioxolo[4,5-h]chromen-8-one (CID 11087672) is 2,6-dimethyl-2-phenyl-[1,3]dioxolo[4,5-h]chromen-8-one.
What is the SMILES notation for 2,6-dimethyl-2-phenyl-[1,3]dioxolo[4,5-h]chromen-8-one?
The canonical SMILES for 2,6-dimethyl-2-phenyl-[1,3]dioxolo[4,5-h]chromen-8-one is Cc1cc(=O)oc2c3c(ccc12)OC(C)(c1ccccc1)O3.
What is the InChIKey of 2,6-dimethyl-2-phenyl-[1,3]dioxolo[4,5-h]chromen-8-one?
The InChIKey is YMGZORLESXHPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O4/c1-11-10-15(19)20-16-13(11)8-9-14-17(16)22-18(2,21-14)12-6-4-3-5-7-12/h3-10H,1-2H3.
What are the key properties of 2,6-dimethyl-2-phenyl-[1,3]dioxolo[4,5-h]chromen-8-one?
2,6-dimethyl-2-phenyl-[1,3]dioxolo[4,5-h]chromen-8-one has a molecular weight of 294.31 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-2-phenyl-[1,3]dioxolo[4,5-h]chromen-8-one is sourced from PubChem (CID 11087672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).