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

C14H19ClO2 — CID 56935322

IUPAC2-[(2-chlorophenyl)methyl]-4,4,5,5-tetramethyl-1,3-dioxolane
SMILESCC1(C)OC(Cc2ccccc2Cl)OC1(C)C
InChIInChI=1S/C14H19ClO2/c1-13(2)14(3,4)17-12(16-13)9-10-7-5-6-8-11(10)15/h5-8,12H,9H2,1-4H3
InChIKeyNBTPOLBPGPXPQF-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.81
Rot. Bonds2

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

2-[(2-chlorophenyl)methyl]-4,4,5,5-tetramethyl-1,3-dioxolane (PubChem CID 56935322) has the molecular formula C14H19ClO2 and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-4,4,5,5-tetramethyl-1,3-dioxolane.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-4,4,5,5-tetramethyl-1,3-dioxolane
PubChem CID56935322
Molecular FormulaC14H19ClO2
Molecular Weight254.76 g/mol
Exact Mass254.11
IUPAC Name2-[(2-chlorophenyl)methyl]-4,4,5,5-tetramethyl-1,3-dioxolane
SMILESCC1(C)OC(Cc2ccccc2Cl)OC1(C)C
InChIInChI=1S/C14H19ClO2/c1-13(2)14(3,4)17-12(16-13)9-10-7-5-6-8-11(10)15/h5-8,12H,9H2,1-4H3
InChIKeyNBTPOLBPGPXPQF-UHFFFAOYSA-N
XLogP3.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-4,4,5,5-tetramethyl-1,3-dioxolane?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-4,4,5,5-tetramethyl-1,3-dioxolane (CID 56935322) is 2-[(2-chlorophenyl)methyl]-4,4,5,5-tetramethyl-1,3-dioxolane.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-4,4,5,5-tetramethyl-1,3-dioxolane?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-4,4,5,5-tetramethyl-1,3-dioxolane is CC1(C)OC(Cc2ccccc2Cl)OC1(C)C.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-4,4,5,5-tetramethyl-1,3-dioxolane?
The InChIKey is NBTPOLBPGPXPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO2/c1-13(2)14(3,4)17-12(16-13)9-10-7-5-6-8-11(10)15/h5-8,12H,9H2,1-4H3.
What are the key properties of 2-[(2-chlorophenyl)methyl]-4,4,5,5-tetramethyl-1,3-dioxolane?
2-[(2-chlorophenyl)methyl]-4,4,5,5-tetramethyl-1,3-dioxolane has a molecular weight of 254.76 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-4,4,5,5-tetramethyl-1,3-dioxolane is sourced from PubChem (CID 56935322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).