ethyl (2R,4R,5R)-2,5-bis(4-chlorophenyl)-1,3-dioxolane-4-carboxylate

C18H16Cl2O4 — CID 23239564

IUPACethyl (2R,4R,5R)-2,5-bis(4-chlorophenyl)-1,3-dioxolane-4-carboxylate
SMILESCCOC(=O)[C@@H]1O[C@H](c2ccc(Cl)cc2)O[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C18H16Cl2O4/c1-2-22-17(21)16-15(11-3-7-13(19)8-4-11)23-18(24-16)12-5-9-14(20)10-6-12/h3-10,15-16,18H,2H2,1H3/t15-,16-,18-/m1/s1
InChIKeyUTMIWHXYHSUJLM-JFIYKMOQSA-N
MW367.23 g/mol
LogP4.71
Rot. Bonds4

About ethyl (2R,4R,5R)-2,5-bis(4-chlorophenyl)-1,3-dioxolane-4-carboxylate

ethyl (2R,4R,5R)-2,5-bis(4-chlorophenyl)-1,3-dioxolane-4-carboxylate (PubChem CID 23239564) has the molecular formula C18H16Cl2O4 and a molecular weight of 367.23 g/mol. Its IUPAC name is ethyl (2R,4R,5R)-2,5-bis(4-chlorophenyl)-1,3-dioxolane-4-carboxylate.

Molecular Properties

Compound Nameethyl (2R,4R,5R)-2,5-bis(4-chlorophenyl)-1,3-dioxolane-4-carboxylate
PubChem CID23239564
Molecular FormulaC18H16Cl2O4
Molecular Weight367.23 g/mol
Exact Mass366.04
IUPAC Nameethyl (2R,4R,5R)-2,5-bis(4-chlorophenyl)-1,3-dioxolane-4-carboxylate
SMILESCCOC(=O)[C@@H]1O[C@H](c2ccc(Cl)cc2)O[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C18H16Cl2O4/c1-2-22-17(21)16-15(11-3-7-13(19)8-4-11)23-18(24-16)12-5-9-14(20)10-6-12/h3-10,15-16,18H,2H2,1H3/t15-,16-,18-/m1/s1
InChIKeyUTMIWHXYHSUJLM-JFIYKMOQSA-N
XLogP4.71
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl (2R,4R,5R)-2,5-bis(4-chlorophenyl)-1,3-dioxolane-4-carboxylate with MolForge

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Related Compounds

ethyl (2R,4S,5R)-2,5-bis[4-(trifluoromethyl)phenyl]-1,3-dioxolane-4-carboxylate
CID 23239561
ethyl (2S,4R,5R)-2,5-bis(4-nitrophenyl)-1,3-dioxolane-4-carboxylate
CID 23239554
ethyl (2R,4R,5S)-2,5-bis(4-nitrophenyl)-1,3-dioxolane-4-carboxylate
CID 102093716
ethyl (4S,5R)-5-(2,6-dichlorophenyl)-2-phenyl-1,3-dioxolane-4-carboxylate
CID 118151807
ethyl (4S,5R)-5-(2-chloro-6-methylphenyl)-2-phenyl-1,3-dioxolane-4-carboxylate
CID 144861664
ethyl (2S,3R)-3-[4-(trifluoromethyl)phenyl]oxirane-2-carboxylate
CID 102056771
ethyl (2R)-3-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]oxirane-2-carboxylate
CID 174272319
ethyl 3-(4-phenylmethoxyphenyl)oxirane-2-carboxylate
CID 11277925
1-[(2R,3S)-3-(4-chlorophenyl)oxiran-2-yl]ethanone
CID 101197056
ethyl (4R,5S)-2-oxo-5-phenyl-1,3-dioxolane-4-carboxylate
CID 124672191
ethyl (4R,5S)-2-methoxy-2-methyl-5-phenyl-1,3-dioxolane-4-carboxylate
CID 10563681
ethyl (2S,3R)-3-(6-chloro-3-methoxy-2-pyridinyl)oxirane-2-carboxylate
CID 165157133

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,4R,5R)-2,5-bis(4-chlorophenyl)-1,3-dioxolane-4-carboxylate?
The IUPAC name of ethyl (2R,4R,5R)-2,5-bis(4-chlorophenyl)-1,3-dioxolane-4-carboxylate (CID 23239564) is ethyl (2R,4R,5R)-2,5-bis(4-chlorophenyl)-1,3-dioxolane-4-carboxylate.
What is the SMILES notation for ethyl (2R,4R,5R)-2,5-bis(4-chlorophenyl)-1,3-dioxolane-4-carboxylate?
The canonical SMILES for ethyl (2R,4R,5R)-2,5-bis(4-chlorophenyl)-1,3-dioxolane-4-carboxylate is CCOC(=O)[C@@H]1O[C@H](c2ccc(Cl)cc2)O[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of ethyl (2R,4R,5R)-2,5-bis(4-chlorophenyl)-1,3-dioxolane-4-carboxylate?
The InChIKey is UTMIWHXYHSUJLM-JFIYKMOQSA-N. The full InChI is InChI=1S/C18H16Cl2O4/c1-2-22-17(21)16-15(11-3-7-13(19)8-4-11)23-18(24-16)12-5-9-14(20)10-6-12/h3-10,15-16,18H,2H2,1H3/t15-,16-,18-/m1/s1.
What are the key properties of ethyl (2R,4R,5R)-2,5-bis(4-chlorophenyl)-1,3-dioxolane-4-carboxylate?
ethyl (2R,4R,5R)-2,5-bis(4-chlorophenyl)-1,3-dioxolane-4-carboxylate has a molecular weight of 367.23 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,4R,5R)-2,5-bis(4-chlorophenyl)-1,3-dioxolane-4-carboxylate is sourced from PubChem (CID 23239564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).