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

C10H10Cl2O2 — CID 83957855

IUPAC2-(3,4-dichlorophenyl)-2-methyl-1,3-dioxolane
SMILESCC1(c2ccc(Cl)c(Cl)c2)OCCO1
InChIInChI=1S/C10H10Cl2O2/c1-10(13-4-5-14-10)7-2-3-8(11)9(12)6-7/h2-3,6H,4-5H2,1H3
InChIKeyHBBROAUQJIRMFC-UHFFFAOYSA-N
MW233.09 g/mol
LogP3.21
Rot. Bonds1

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

2-(3,4-dichlorophenyl)-2-methyl-1,3-dioxolane (PubChem CID 83957855) has the molecular formula C10H10Cl2O2 and a molecular weight of 233.09 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-2-methyl-1,3-dioxolane
PubChem CID83957855
Molecular FormulaC10H10Cl2O2
Molecular Weight233.09 g/mol
Exact Mass232.01
IUPAC Name2-(3,4-dichlorophenyl)-2-methyl-1,3-dioxolane
SMILESCC1(c2ccc(Cl)c(Cl)c2)OCCO1
InChIInChI=1S/C10H10Cl2O2/c1-10(13-4-5-14-10)7-2-3-8(11)9(12)6-7/h2-3,6H,4-5H2,1H3
InChIKeyHBBROAUQJIRMFC-UHFFFAOYSA-N
XLogP3.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.09
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-2-methyl-1,3-dioxolane?
The IUPAC name of 2-(3,4-dichlorophenyl)-2-methyl-1,3-dioxolane (CID 83957855) is 2-(3,4-dichlorophenyl)-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-(3,4-dichlorophenyl)-2-methyl-1,3-dioxolane is CC1(c2ccc(Cl)c(Cl)c2)OCCO1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-2-methyl-1,3-dioxolane?
The InChIKey is HBBROAUQJIRMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O2/c1-10(13-4-5-14-10)7-2-3-8(11)9(12)6-7/h2-3,6H,4-5H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-2-methyl-1,3-dioxolane?
2-(3,4-dichlorophenyl)-2-methyl-1,3-dioxolane has a molecular weight of 233.09 g/mol, XLogP of 3.21, 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)-2-methyl-1,3-dioxolane is sourced from PubChem (CID 83957855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).