(4-chlorophenyl)-(1,3-dioxolan-4-yl)methanone

C10H9ClO3 — CID 14675569

IUPAC(4-chlorophenyl)-(1,3-dioxolan-4-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)C1COCO1
InChIInChI=1S/C10H9ClO3/c11-8-3-1-7(2-4-8)10(12)9-5-13-6-14-9/h1-4,9H,5-6H2
InChIKeyAYWOSGYRWHBTTA-UHFFFAOYSA-N
MW212.63 g/mol
LogP1.90
Rot. Bonds2

About (4-chlorophenyl)-(1,3-dioxolan-4-yl)methanone

(4-chlorophenyl)-(1,3-dioxolan-4-yl)methanone (PubChem CID 14675569) has the molecular formula C10H9ClO3 and a molecular weight of 212.63 g/mol. Its IUPAC name is (4-chlorophenyl)-(1,3-dioxolan-4-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(1,3-dioxolan-4-yl)methanone
PubChem CID14675569
Molecular FormulaC10H9ClO3
Molecular Weight212.63 g/mol
Exact Mass212.02
IUPAC Name(4-chlorophenyl)-(1,3-dioxolan-4-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)C1COCO1
InChIInChI=1S/C10H9ClO3/c11-8-3-1-7(2-4-8)10(12)9-5-13-6-14-9/h1-4,9H,5-6H2
InChIKeyAYWOSGYRWHBTTA-UHFFFAOYSA-N
XLogP1.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.63
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(1,3-dioxolan-4-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(1,3-dioxolan-4-yl)methanone (CID 14675569) is (4-chlorophenyl)-(1,3-dioxolan-4-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(1,3-dioxolan-4-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(1,3-dioxolan-4-yl)methanone is O=C(c1ccc(Cl)cc1)C1COCO1.
What is the InChIKey of (4-chlorophenyl)-(1,3-dioxolan-4-yl)methanone?
The InChIKey is AYWOSGYRWHBTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO3/c11-8-3-1-7(2-4-8)10(12)9-5-13-6-14-9/h1-4,9H,5-6H2.
What are the key properties of (4-chlorophenyl)-(1,3-dioxolan-4-yl)methanone?
(4-chlorophenyl)-(1,3-dioxolan-4-yl)methanone has a molecular weight of 212.63 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(1,3-dioxolan-4-yl)methanone is sourced from PubChem (CID 14675569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).