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

C14H19ClO2 — CID 158961736

IUPAC4-[(2-chlorophenyl)methyl]-2,2-diethyl-1,3-dioxolane
SMILESCCC1(CC)OCC(Cc2ccccc2Cl)O1
InChIInChI=1S/C14H19ClO2/c1-3-14(4-2)16-10-12(17-14)9-11-7-5-6-8-13(11)15/h5-8,12H,3-4,9-10H2,1-2H3
InChIKeyJMSAIZTWJNOQGG-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.81
Rot. Bonds4

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

4-[(2-chlorophenyl)methyl]-2,2-diethyl-1,3-dioxolane (PubChem CID 158961736) has the molecular formula C14H19ClO2 and a molecular weight of 254.76 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methyl]-2,2-diethyl-1,3-dioxolane.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methyl]-2,2-diethyl-1,3-dioxolane
PubChem CID158961736
Molecular FormulaC14H19ClO2
Molecular Weight254.76 g/mol
Exact Mass254.11
IUPAC Name4-[(2-chlorophenyl)methyl]-2,2-diethyl-1,3-dioxolane
SMILESCCC1(CC)OCC(Cc2ccccc2Cl)O1
InChIInChI=1S/C14H19ClO2/c1-3-14(4-2)16-10-12(17-14)9-11-7-5-6-8-13(11)15/h5-8,12H,3-4,9-10H2,1-2H3
InChIKeyJMSAIZTWJNOQGG-UHFFFAOYSA-N
XLogP3.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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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Related Compounds

4-[(2-chlorophenyl)methyl]-2,2-diethyl-5-methyl-1,3-dioxolane
CID 118279079
2-benzyl-4-(chloromethyl)-2-ethyl-1,3-dioxolane
CID 82778660
(2,2-diethyl-1,3-dioxolan-4-yl)methanamine
CID 23170380
2,2-diethyl-4-(2-iodophenyl)-1,3-dioxolane
CID 151760345
5-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazole
CID 23329911
methane;2-[[2-(oxiran-2-ylmethyl)phenyl]methyl]oxirane
CID 174690186
1-bromo-2-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-indene
CID 55192449
2-(2-chlorophenyl)-2-ethyloxirane
CID 88683538
1-chloro-2-[(4-methylcyclohexyl)methyl]benzene
CID 71050901
2,4-diethyl-2-phenyl-1,3-dioxolane
CID 56633711
1-chloro-2-(cyclohexylmethyl)benzene
CID 54348768
(4S)-2,2-diethyl-4-(2-methoxyethyl)-1,3-dioxolane
CID 131860944

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methyl]-2,2-diethyl-1,3-dioxolane?
The IUPAC name of 4-[(2-chlorophenyl)methyl]-2,2-diethyl-1,3-dioxolane (CID 158961736) is 4-[(2-chlorophenyl)methyl]-2,2-diethyl-1,3-dioxolane.
What is the SMILES notation for 4-[(2-chlorophenyl)methyl]-2,2-diethyl-1,3-dioxolane?
The canonical SMILES for 4-[(2-chlorophenyl)methyl]-2,2-diethyl-1,3-dioxolane is CCC1(CC)OCC(Cc2ccccc2Cl)O1.
What is the InChIKey of 4-[(2-chlorophenyl)methyl]-2,2-diethyl-1,3-dioxolane?
The InChIKey is JMSAIZTWJNOQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO2/c1-3-14(4-2)16-10-12(17-14)9-11-7-5-6-8-13(11)15/h5-8,12H,3-4,9-10H2,1-2H3.
What are the key properties of 4-[(2-chlorophenyl)methyl]-2,2-diethyl-1,3-dioxolane?
4-[(2-chlorophenyl)methyl]-2,2-diethyl-1,3-dioxolane has a molecular weight of 254.76 g/mol, XLogP of 3.81, 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-1,3-dioxolane is sourced from PubChem (CID 158961736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).