(2R,4R)-4-(chloromethyl)-2-(2-chlorophenyl)-1,3-dioxolane

C10H10Cl2O2 — CID 36690006

IUPAC(2R,4R)-4-(chloromethyl)-2-(2-chlorophenyl)-1,3-dioxolane
SMILESClC[C@H]1CO[C@@H](c2ccccc2Cl)O1
InChIInChI=1S/C10H10Cl2O2/c11-5-7-6-13-10(14-7)8-3-1-2-4-9(8)12/h1-4,7,10H,5-6H2/t7-,10+/m0/s1
InChIKeyGIMPQTBULMJYJR-OIBJUYFYSA-N
MW233.09 g/mol
LogP2.99
Rot. Bonds2

About (2R,4R)-4-(chloromethyl)-2-(2-chlorophenyl)-1,3-dioxolane

(2R,4R)-4-(chloromethyl)-2-(2-chlorophenyl)-1,3-dioxolane (PubChem CID 36690006) has the molecular formula C10H10Cl2O2 and a molecular weight of 233.09 g/mol. Its IUPAC name is (2R,4R)-4-(chloromethyl)-2-(2-chlorophenyl)-1,3-dioxolane.

Molecular Properties

Compound Name(2R,4R)-4-(chloromethyl)-2-(2-chlorophenyl)-1,3-dioxolane
PubChem CID36690006
Molecular FormulaC10H10Cl2O2
Molecular Weight233.09 g/mol
Exact Mass232.01
IUPAC Name(2R,4R)-4-(chloromethyl)-2-(2-chlorophenyl)-1,3-dioxolane
SMILESClC[C@H]1CO[C@@H](c2ccccc2Cl)O1
InChIInChI=1S/C10H10Cl2O2/c11-5-7-6-13-10(14-7)8-3-1-2-4-9(8)12/h1-4,7,10H,5-6H2/t7-,10+/m0/s1
InChIKeyGIMPQTBULMJYJR-OIBJUYFYSA-N
XLogP2.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.09
LogP ≤ 52.99
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

(2R,4R)-4-(chloromethyl)-2-(2-methoxyphenyl)-1,3-dioxolane
CID 36690087
2-(4-chloro-2-fluorophenyl)-4-(chloromethyl)-1,3-dioxolane
CID 114867994
[(2R,4S)-2-(2-methylphenyl)-1,3-dioxolan-4-yl]methanol
CID 94253898
[(2S,4S)-2-(2-methylphenyl)-1,3-dioxolan-4-yl]methanol
CID 94253899
[2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methanol
CID 163756517
2-(4-chloro-3-fluorophenyl)-4-(chloromethyl)-1,3-dioxolane
CID 82776123
2-(5-bromo-2-fluorophenyl)-4-(chloromethyl)-1,3-dioxolane
CID 82775367
(2S)-2-(2-chlorophenyl)oxirane
CID 12561900
2-(2-chlorophenyl)-4,7-dihydro-1,3-dioxepine
CID 12562262
4-(chloromethyl)-2-[4-fluoro-2-(trifluoromethyl)phenyl]-1,3-dioxolane
CID 82776107
4-(chloromethyl)-2-(3-fluorophenyl)-1,3-dioxolane
CID 82776808
3-[4-(chloromethyl)-1,3-dioxolan-2-yl]phenol
CID 82778654

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-(chloromethyl)-2-(2-chlorophenyl)-1,3-dioxolane?
The IUPAC name of (2R,4R)-4-(chloromethyl)-2-(2-chlorophenyl)-1,3-dioxolane (CID 36690006) is (2R,4R)-4-(chloromethyl)-2-(2-chlorophenyl)-1,3-dioxolane.
What is the SMILES notation for (2R,4R)-4-(chloromethyl)-2-(2-chlorophenyl)-1,3-dioxolane?
The canonical SMILES for (2R,4R)-4-(chloromethyl)-2-(2-chlorophenyl)-1,3-dioxolane is ClC[C@H]1CO[C@@H](c2ccccc2Cl)O1.
What is the InChIKey of (2R,4R)-4-(chloromethyl)-2-(2-chlorophenyl)-1,3-dioxolane?
The InChIKey is GIMPQTBULMJYJR-OIBJUYFYSA-N. The full InChI is InChI=1S/C10H10Cl2O2/c11-5-7-6-13-10(14-7)8-3-1-2-4-9(8)12/h1-4,7,10H,5-6H2/t7-,10+/m0/s1.
What are the key properties of (2R,4R)-4-(chloromethyl)-2-(2-chlorophenyl)-1,3-dioxolane?
(2R,4R)-4-(chloromethyl)-2-(2-chlorophenyl)-1,3-dioxolane has a molecular weight of 233.09 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-(chloromethyl)-2-(2-chlorophenyl)-1,3-dioxolane is sourced from PubChem (CID 36690006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).