2-(1-chloroethyl)-2-phenyl-1,3-dioxolane

C11H13ClO2 — CID 150236654

IUPAC2-(1-chloroethyl)-2-phenyl-1,3-dioxolane
SMILESCC(Cl)C1(c2ccccc2)OCCO1
InChIInChI=1S/C11H13ClO2/c1-9(12)11(13-7-8-14-11)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChIKeyFWQOMHVBPTUWAV-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.51
Rot. Bonds2

About 2-(1-chloroethyl)-2-phenyl-1,3-dioxolane

2-(1-chloroethyl)-2-phenyl-1,3-dioxolane (PubChem CID 150236654) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 2-(1-chloroethyl)-2-phenyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(1-chloroethyl)-2-phenyl-1,3-dioxolane
PubChem CID150236654
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name2-(1-chloroethyl)-2-phenyl-1,3-dioxolane
SMILESCC(Cl)C1(c2ccccc2)OCCO1
InChIInChI=1S/C11H13ClO2/c1-9(12)11(13-7-8-14-11)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChIKeyFWQOMHVBPTUWAV-UHFFFAOYSA-N
XLogP2.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-2-propan-2-yl-1,3-dioxane
CID 89439443
(R)-phenyl-(2-phenyl-1,3-dioxolan-2-yl)methanol
CID 41097603
2,2-diphenyl-1,3,6,9,12,15,18-heptaoxacycloicosane
CID 12934420
2-(2-methylpropyl)-2-phenyl-1,3-dioxane
CID 89439871
5-(2-phenyl-1,3-dioxolan-2-yl)pentan-2-ol
CID 68649617
2-methyl-2-phenyl-1,4-dioxane
CID 154111008
(2S)-2-methyl-2-phenyloxirane
CID 11629614
1-(2,2-diphenyloxolan-3-yl)ethanamine
CID 126485677
2-phenyl-1,3-dioxolane-2-carbaldehyde
CID 11686994
4-methyl-4-phenyl-1,6-dioxaspiro[2.3]hexane
CID 10773606
(2R,5R)-2,5-dimethyl-2,5-diphenyl-1,4-dioxane
CID 1203325
trimethyl-[(2S)-2-phenyloxiran-2-yl]silane
CID 135037115

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-2-phenyl-1,3-dioxolane?
The IUPAC name of 2-(1-chloroethyl)-2-phenyl-1,3-dioxolane (CID 150236654) is 2-(1-chloroethyl)-2-phenyl-1,3-dioxolane.
What is the SMILES notation for 2-(1-chloroethyl)-2-phenyl-1,3-dioxolane?
The canonical SMILES for 2-(1-chloroethyl)-2-phenyl-1,3-dioxolane is CC(Cl)C1(c2ccccc2)OCCO1.
What is the InChIKey of 2-(1-chloroethyl)-2-phenyl-1,3-dioxolane?
The InChIKey is FWQOMHVBPTUWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-9(12)11(13-7-8-14-11)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3.
What are the key properties of 2-(1-chloroethyl)-2-phenyl-1,3-dioxolane?
2-(1-chloroethyl)-2-phenyl-1,3-dioxolane has a molecular weight of 212.68 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-2-phenyl-1,3-dioxolane is sourced from PubChem (CID 150236654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).