4-[(2-chlorophenyl)methyl]-2,2-diethyl-5-methyl-1,3-dioxolane

C15H21ClO2 — CID 118279079

IUPAC4-[(2-chlorophenyl)methyl]-2,2-diethyl-5-methyl-1,3-dioxolane
SMILESCCC1(CC)OC(C)C(Cc2ccccc2Cl)O1
InChIInChI=1S/C15H21ClO2/c1-4-15(5-2)17-11(3)14(18-15)10-12-8-6-7-9-13(12)16/h6-9,11,14H,4-5,10H2,1-3H3
InChIKeyVBGBLDBLDSUMLP-UHFFFAOYSA-N
MW268.78 g/mol
LogP4.20
Rot. Bonds4

About 4-[(2-chlorophenyl)methyl]-2,2-diethyl-5-methyl-1,3-dioxolane

4-[(2-chlorophenyl)methyl]-2,2-diethyl-5-methyl-1,3-dioxolane (PubChem CID 118279079) has the molecular formula C15H21ClO2 and a molecular weight of 268.78 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methyl]-2,2-diethyl-5-methyl-1,3-dioxolane.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methyl]-2,2-diethyl-5-methyl-1,3-dioxolane
PubChem CID118279079
Molecular FormulaC15H21ClO2
Molecular Weight268.78 g/mol
Exact Mass268.12
IUPAC Name4-[(2-chlorophenyl)methyl]-2,2-diethyl-5-methyl-1,3-dioxolane
SMILESCCC1(CC)OC(C)C(Cc2ccccc2Cl)O1
InChIInChI=1S/C15H21ClO2/c1-4-15(5-2)17-11(3)14(18-15)10-12-8-6-7-9-13(12)16/h6-9,11,14H,4-5,10H2,1-3H3
InChIKeyVBGBLDBLDSUMLP-UHFFFAOYSA-N
XLogP4.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.78
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methyl]-2,2-diethyl-5-methyl-1,3-dioxolane?
The IUPAC name of 4-[(2-chlorophenyl)methyl]-2,2-diethyl-5-methyl-1,3-dioxolane (CID 118279079) is 4-[(2-chlorophenyl)methyl]-2,2-diethyl-5-methyl-1,3-dioxolane.
What is the SMILES notation for 4-[(2-chlorophenyl)methyl]-2,2-diethyl-5-methyl-1,3-dioxolane?
The canonical SMILES for 4-[(2-chlorophenyl)methyl]-2,2-diethyl-5-methyl-1,3-dioxolane is CCC1(CC)OC(C)C(Cc2ccccc2Cl)O1.
What is the InChIKey of 4-[(2-chlorophenyl)methyl]-2,2-diethyl-5-methyl-1,3-dioxolane?
The InChIKey is VBGBLDBLDSUMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO2/c1-4-15(5-2)17-11(3)14(18-15)10-12-8-6-7-9-13(12)16/h6-9,11,14H,4-5,10H2,1-3H3.
What are the key properties of 4-[(2-chlorophenyl)methyl]-2,2-diethyl-5-methyl-1,3-dioxolane?
4-[(2-chlorophenyl)methyl]-2,2-diethyl-5-methyl-1,3-dioxolane has a molecular weight of 268.78 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methyl]-2,2-diethyl-5-methyl-1,3-dioxolane is sourced from PubChem (CID 118279079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).