1,3-dioxol-4-yl-(4-methoxyphenyl)methanone

C11H10O4 — CID 141140452

IUPAC1,3-dioxol-4-yl-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2=COCO2)cc1
InChIInChI=1S/C11H10O4/c1-13-9-4-2-8(3-5-9)11(12)10-6-14-7-15-10/h2-6H,7H2,1H3
InChIKeyRRFLZSWCQCOJAB-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.72
Rot. Bonds3

About 1,3-dioxol-4-yl-(4-methoxyphenyl)methanone

1,3-dioxol-4-yl-(4-methoxyphenyl)methanone (PubChem CID 141140452) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is 1,3-dioxol-4-yl-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name1,3-dioxol-4-yl-(4-methoxyphenyl)methanone
PubChem CID141140452
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Name1,3-dioxol-4-yl-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2=COCO2)cc1
InChIInChI=1S/C11H10O4/c1-13-9-4-2-8(3-5-9)11(12)10-6-14-7-15-10/h2-6H,7H2,1H3
InChIKeyRRFLZSWCQCOJAB-UHFFFAOYSA-N
XLogP1.72
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dioxol-4-yl-(4-methoxyphenyl)methanone?
The IUPAC name of 1,3-dioxol-4-yl-(4-methoxyphenyl)methanone (CID 141140452) is 1,3-dioxol-4-yl-(4-methoxyphenyl)methanone.
What is the SMILES notation for 1,3-dioxol-4-yl-(4-methoxyphenyl)methanone?
The canonical SMILES for 1,3-dioxol-4-yl-(4-methoxyphenyl)methanone is COc1ccc(C(=O)C2=COCO2)cc1.
What is the InChIKey of 1,3-dioxol-4-yl-(4-methoxyphenyl)methanone?
The InChIKey is RRFLZSWCQCOJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c1-13-9-4-2-8(3-5-9)11(12)10-6-14-7-15-10/h2-6H,7H2,1H3.
What are the key properties of 1,3-dioxol-4-yl-(4-methoxyphenyl)methanone?
1,3-dioxol-4-yl-(4-methoxyphenyl)methanone has a molecular weight of 206.20 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxol-4-yl-(4-methoxyphenyl)methanone is sourced from PubChem (CID 141140452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).