2-(3,4-dichlorophenyl)-1,3-dioxolane

C9H8Cl2O2 — CID 57308617

IUPAC2-(3,4-dichlorophenyl)-1,3-dioxolane
SMILESClc1ccc(C2OCCO2)cc1Cl
InChIInChI=1S/C9H8Cl2O2/c10-7-2-1-6(5-8(7)11)9-12-3-4-13-9/h1-2,5,9H,3-4H2
InChIKeyGTINLBBKOYNKSM-UHFFFAOYSA-N
MW219.07 g/mol
LogP3.04
Rot. Bonds1

About 2-(3,4-dichlorophenyl)-1,3-dioxolane

2-(3,4-dichlorophenyl)-1,3-dioxolane (PubChem CID 57308617) has the molecular formula C9H8Cl2O2 and a molecular weight of 219.07 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1,3-dioxolane
PubChem CID57308617
Molecular FormulaC9H8Cl2O2
Molecular Weight219.07 g/mol
Exact Mass217.99
IUPAC Name2-(3,4-dichlorophenyl)-1,3-dioxolane
SMILESClc1ccc(C2OCCO2)cc1Cl
InChIInChI=1S/C9H8Cl2O2/c10-7-2-1-6(5-8(7)11)9-12-3-4-13-9/h1-2,5,9H,3-4H2
InChIKeyGTINLBBKOYNKSM-UHFFFAOYSA-N
XLogP3.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.07
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Chlorophenyl)-1,3-dioxolane
CID 305775
4-Chlorobenzaldehyde dimethyl acetal
CID 520661
2-Chlorobenzaldehyde ethylene ketal
CID 4054551
1-Chloro-4-(diethoxymethyl)benzene
CID 326160
1,3-Dioxane, 2-(4-chlorophenyl)-
CID 252517
1,3-Dioxolane-4-methanol, 2-(p-chlorophenyl)-
CID 52848
1,3-Dioxolane, 2-(p-chlorophenyl)-2,4-dimethyl-
CID 43113
3-(3-Chlorophenyl)-5-(3,4-dichlorophenyl)-1,4,2-dioxazole
CID 25268943
3-(4-Chlorophenyl)-5-(3,4-dichlorophenyl)-1,4,2-dioxazole
CID 25268949
2,2-Bis(4-chlorophenyl)-1,3-dioxolane
CID 11370069
4-(Chloromethyl)-2-(4-chlorophenyl)-1,3-dioxolane
CID 237901
2-(2,4-Dichlorophenyl)-1,3-dioxolane
CID 228659

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1,3-dioxolane?
The IUPAC name of 2-(3,4-dichlorophenyl)-1,3-dioxolane (CID 57308617) is 2-(3,4-dichlorophenyl)-1,3-dioxolane.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1,3-dioxolane?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1,3-dioxolane is Clc1ccc(C2OCCO2)cc1Cl.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1,3-dioxolane?
The InChIKey is GTINLBBKOYNKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O2/c10-7-2-1-6(5-8(7)11)9-12-3-4-13-9/h1-2,5,9H,3-4H2.
What are the key properties of 2-(3,4-dichlorophenyl)-1,3-dioxolane?
2-(3,4-dichlorophenyl)-1,3-dioxolane has a molecular weight of 219.07 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1,3-dioxolane is sourced from PubChem (CID 57308617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).