2-[(4-chlorophenyl)methyl]-1,3-dioxolane

C10H11ClO2 — CID 2757492

IUPAC2-[(4-chlorophenyl)methyl]-1,3-dioxolane
SMILESClc1ccc(CC2OCCO2)cc1
InChIInChI=1S/C10H11ClO2/c11-9-3-1-8(2-4-9)7-10-12-5-6-13-10/h1-4,10H,5-7H2
InChIKeyWMNQMPLCEZFODE-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.26
Rot. Bonds2

About 2-[(4-chlorophenyl)methyl]-1,3-dioxolane

2-[(4-chlorophenyl)methyl]-1,3-dioxolane (PubChem CID 2757492) has the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-1,3-dioxolane
PubChem CID2757492
Molecular FormulaC10H11ClO2
Molecular Weight198.65 g/mol
Exact Mass198.04
IUPAC Name2-[(4-chlorophenyl)methyl]-1,3-dioxolane
SMILESClc1ccc(CC2OCCO2)cc1
InChIInChI=1S/C10H11ClO2/c11-9-3-1-8(2-4-9)7-10-12-5-6-13-10/h1-4,10H,5-7H2
InChIKeyWMNQMPLCEZFODE-UHFFFAOYSA-N
XLogP2.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-1,3-dioxolane?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-1,3-dioxolane (CID 2757492) is 2-[(4-chlorophenyl)methyl]-1,3-dioxolane.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-1,3-dioxolane?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-1,3-dioxolane is Clc1ccc(CC2OCCO2)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-1,3-dioxolane?
The InChIKey is WMNQMPLCEZFODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2/c11-9-3-1-8(2-4-9)7-10-12-5-6-13-10/h1-4,10H,5-7H2.
What are the key properties of 2-[(4-chlorophenyl)methyl]-1,3-dioxolane?
2-[(4-chlorophenyl)methyl]-1,3-dioxolane has a molecular weight of 198.65 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-1,3-dioxolane is sourced from PubChem (CID 2757492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).