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

C16H14Cl2O2 — CID 139083996

IUPAC2-[(R)-(2-chlorophenyl)-(4-chlorophenyl)methyl]-1,3-dioxolane
SMILESClc1ccc([C@H](c2ccccc2Cl)C2OCCO2)cc1
InChIInChI=1S/C16H14Cl2O2/c17-12-7-5-11(6-8-12)15(16-19-9-10-20-16)13-3-1-2-4-14(13)18/h1-8,15-16H,9-10H2/t15-/m1/s1
InChIKeyCIEKNTPVNHLVAW-OAHLLOKOSA-N
MW309.19 g/mol
LogP4.50
Rot. Bonds3

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

2-[(R)-(2-chlorophenyl)-(4-chlorophenyl)methyl]-1,3-dioxolane (PubChem CID 139083996) has the molecular formula C16H14Cl2O2 and a molecular weight of 309.19 g/mol. Its IUPAC name is 2-[(R)-(2-chlorophenyl)-(4-chlorophenyl)methyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[(R)-(2-chlorophenyl)-(4-chlorophenyl)methyl]-1,3-dioxolane
PubChem CID139083996
Molecular FormulaC16H14Cl2O2
Molecular Weight309.19 g/mol
Exact Mass308.04
IUPAC Name2-[(R)-(2-chlorophenyl)-(4-chlorophenyl)methyl]-1,3-dioxolane
SMILESClc1ccc([C@H](c2ccccc2Cl)C2OCCO2)cc1
InChIInChI=1S/C16H14Cl2O2/c17-12-7-5-11(6-8-12)15(16-19-9-10-20-16)13-3-1-2-4-14(13)18/h1-8,15-16H,9-10H2/t15-/m1/s1
InChIKeyCIEKNTPVNHLVAW-OAHLLOKOSA-N
XLogP4.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(R)-(2-chlorophenyl)-(4-chlorophenyl)methyl]-1,3-dioxolane?
The IUPAC name of 2-[(R)-(2-chlorophenyl)-(4-chlorophenyl)methyl]-1,3-dioxolane (CID 139083996) is 2-[(R)-(2-chlorophenyl)-(4-chlorophenyl)methyl]-1,3-dioxolane.
What is the SMILES notation for 2-[(R)-(2-chlorophenyl)-(4-chlorophenyl)methyl]-1,3-dioxolane?
The canonical SMILES for 2-[(R)-(2-chlorophenyl)-(4-chlorophenyl)methyl]-1,3-dioxolane is Clc1ccc([C@H](c2ccccc2Cl)C2OCCO2)cc1.
What is the InChIKey of 2-[(R)-(2-chlorophenyl)-(4-chlorophenyl)methyl]-1,3-dioxolane?
The InChIKey is CIEKNTPVNHLVAW-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H14Cl2O2/c17-12-7-5-11(6-8-12)15(16-19-9-10-20-16)13-3-1-2-4-14(13)18/h1-8,15-16H,9-10H2/t15-/m1/s1.
What are the key properties of 2-[(R)-(2-chlorophenyl)-(4-chlorophenyl)methyl]-1,3-dioxolane?
2-[(R)-(2-chlorophenyl)-(4-chlorophenyl)methyl]-1,3-dioxolane has a molecular weight of 309.19 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-(2-chlorophenyl)-(4-chlorophenyl)methyl]-1,3-dioxolane is sourced from PubChem (CID 139083996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).