(4-chlorophenyl)-[2-(1,3-dioxolan-2-yl)phenyl]methanone

C16H13ClO3 — CID 102107890

IUPAC(4-chlorophenyl)-[2-(1,3-dioxolan-2-yl)phenyl]methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccccc1C1OCCO1
InChIInChI=1S/C16H13ClO3/c17-12-7-5-11(6-8-12)15(18)13-3-1-2-4-14(13)16-19-9-10-20-16/h1-8,16H,9-10H2
InChIKeyCBYWQTZVVFRVIF-UHFFFAOYSA-N
MW288.73 g/mol
LogP3.62
Rot. Bonds3

About (4-chlorophenyl)-[2-(1,3-dioxolan-2-yl)phenyl]methanone

(4-chlorophenyl)-[2-(1,3-dioxolan-2-yl)phenyl]methanone (PubChem CID 102107890) has the molecular formula C16H13ClO3 and a molecular weight of 288.73 g/mol. Its IUPAC name is (4-chlorophenyl)-[2-(1,3-dioxolan-2-yl)phenyl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[2-(1,3-dioxolan-2-yl)phenyl]methanone
PubChem CID102107890
Molecular FormulaC16H13ClO3
Molecular Weight288.73 g/mol
Exact Mass288.06
IUPAC Name(4-chlorophenyl)-[2-(1,3-dioxolan-2-yl)phenyl]methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccccc1C1OCCO1
InChIInChI=1S/C16H13ClO3/c17-12-7-5-11(6-8-12)15(18)13-3-1-2-4-14(13)16-19-9-10-20-16/h1-8,16H,9-10H2
InChIKeyCBYWQTZVVFRVIF-UHFFFAOYSA-N
XLogP3.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-chlorophenyl)-[2-(1,3-dioxolan-2-yl)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[2-(1,3-dioxolan-2-yl)phenyl]methanone?
The IUPAC name of (4-chlorophenyl)-[2-(1,3-dioxolan-2-yl)phenyl]methanone (CID 102107890) is (4-chlorophenyl)-[2-(1,3-dioxolan-2-yl)phenyl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[2-(1,3-dioxolan-2-yl)phenyl]methanone?
The canonical SMILES for (4-chlorophenyl)-[2-(1,3-dioxolan-2-yl)phenyl]methanone is O=C(c1ccc(Cl)cc1)c1ccccc1C1OCCO1.
What is the InChIKey of (4-chlorophenyl)-[2-(1,3-dioxolan-2-yl)phenyl]methanone?
The InChIKey is CBYWQTZVVFRVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClO3/c17-12-7-5-11(6-8-12)15(18)13-3-1-2-4-14(13)16-19-9-10-20-16/h1-8,16H,9-10H2.
What are the key properties of (4-chlorophenyl)-[2-(1,3-dioxolan-2-yl)phenyl]methanone?
(4-chlorophenyl)-[2-(1,3-dioxolan-2-yl)phenyl]methanone has a molecular weight of 288.73 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[2-(1,3-dioxolan-2-yl)phenyl]methanone is sourced from PubChem (CID 102107890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).