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

C18H19ClO4 — CID 40562654

IUPAC(2R,4R)-2-(4-chlorophenyl)-4-(2-phenoxyethoxymethyl)-1,3-dioxolane
SMILESClc1ccc([C@@H]2OC[C@@H](COCCOc3ccccc3)O2)cc1
InChIInChI=1S/C18H19ClO4/c19-15-8-6-14(7-9-15)18-22-13-17(23-18)12-20-10-11-21-16-4-2-1-3-5-16/h1-9,17-18H,10-13H2/t17-,18-/m1/s1
InChIKeyUYYDKQBZXCFHNT-QZTJIDSGSA-N
MW334.80 g/mol
LogP3.85
Rot. Bonds7

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

(2R,4R)-2-(4-chlorophenyl)-4-(2-phenoxyethoxymethyl)-1,3-dioxolane (PubChem CID 40562654) has the molecular formula C18H19ClO4 and a molecular weight of 334.80 g/mol. Its IUPAC name is (2R,4R)-2-(4-chlorophenyl)-4-(2-phenoxyethoxymethyl)-1,3-dioxolane.

Molecular Properties

Compound Name(2R,4R)-2-(4-chlorophenyl)-4-(2-phenoxyethoxymethyl)-1,3-dioxolane
PubChem CID40562654
Molecular FormulaC18H19ClO4
Molecular Weight334.80 g/mol
Exact Mass334.10
IUPAC Name(2R,4R)-2-(4-chlorophenyl)-4-(2-phenoxyethoxymethyl)-1,3-dioxolane
SMILESClc1ccc([C@@H]2OC[C@@H](COCCOc3ccccc3)O2)cc1
InChIInChI=1S/C18H19ClO4/c19-15-8-6-14(7-9-15)18-22-13-17(23-18)12-20-10-11-21-16-4-2-1-3-5-16/h1-9,17-18H,10-13H2/t17-,18-/m1/s1
InChIKeyUYYDKQBZXCFHNT-QZTJIDSGSA-N
XLogP3.85
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-(4-chlorophenyl)-4-(2-phenoxyethoxymethyl)-1,3-dioxolane?
The IUPAC name of (2R,4R)-2-(4-chlorophenyl)-4-(2-phenoxyethoxymethyl)-1,3-dioxolane (CID 40562654) is (2R,4R)-2-(4-chlorophenyl)-4-(2-phenoxyethoxymethyl)-1,3-dioxolane.
What is the SMILES notation for (2R,4R)-2-(4-chlorophenyl)-4-(2-phenoxyethoxymethyl)-1,3-dioxolane?
The canonical SMILES for (2R,4R)-2-(4-chlorophenyl)-4-(2-phenoxyethoxymethyl)-1,3-dioxolane is Clc1ccc([C@@H]2OC[C@@H](COCCOc3ccccc3)O2)cc1.
What is the InChIKey of (2R,4R)-2-(4-chlorophenyl)-4-(2-phenoxyethoxymethyl)-1,3-dioxolane?
The InChIKey is UYYDKQBZXCFHNT-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H19ClO4/c19-15-8-6-14(7-9-15)18-22-13-17(23-18)12-20-10-11-21-16-4-2-1-3-5-16/h1-9,17-18H,10-13H2/t17-,18-/m1/s1.
What are the key properties of (2R,4R)-2-(4-chlorophenyl)-4-(2-phenoxyethoxymethyl)-1,3-dioxolane?
(2R,4R)-2-(4-chlorophenyl)-4-(2-phenoxyethoxymethyl)-1,3-dioxolane has a molecular weight of 334.80 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-(4-chlorophenyl)-4-(2-phenoxyethoxymethyl)-1,3-dioxolane is sourced from PubChem (CID 40562654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).