2,4-dichloro-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methyl-2-phenylmethoxyoxolan-3-ol

C20H20Cl4O4 — CID 142670951

IUPAC2,4-dichloro-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methyl-2-phenylmethoxyoxolan-3-ol
SMILESCC1(O)C(Cl)C(COCc2ccc(Cl)cc2Cl)OC1(Cl)OCc1ccccc1
InChIInChI=1S/C20H20Cl4O4/c1-19(25)18(23)17(12-26-11-14-7-8-15(21)9-16(14)22)28-20(19,24)27-10-13-5-3-2-4-6-13/h2-9,17-18,25H,10-12H2,1H3
InChIKeyAYEPWMGMLZQNEH-UHFFFAOYSA-N
MW466.19 g/mol
LogP5.38
Rot. Bonds7

About 2,4-dichloro-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methyl-2-phenylmethoxyoxolan-3-ol

2,4-dichloro-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methyl-2-phenylmethoxyoxolan-3-ol (PubChem CID 142670951) has the molecular formula C20H20Cl4O4 and a molecular weight of 466.19 g/mol. Its IUPAC name is 2,4-dichloro-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methyl-2-phenylmethoxyoxolan-3-ol.

Molecular Properties

Compound Name2,4-dichloro-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methyl-2-phenylmethoxyoxolan-3-ol
PubChem CID142670951
Molecular FormulaC20H20Cl4O4
Molecular Weight466.19 g/mol
Exact Mass464.01
IUPAC Name2,4-dichloro-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methyl-2-phenylmethoxyoxolan-3-ol
SMILESCC1(O)C(Cl)C(COCc2ccc(Cl)cc2Cl)OC1(Cl)OCc1ccccc1
InChIInChI=1S/C20H20Cl4O4/c1-19(25)18(23)17(12-26-11-14-7-8-15(21)9-16(14)22)28-20(19,24)27-10-13-5-3-2-4-6-13/h2-9,17-18,25H,10-12H2,1H3
InChIKeyAYEPWMGMLZQNEH-UHFFFAOYSA-N
XLogP5.38
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.19
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methyl-3-phenylmethoxyoxolan-2-yl]acetonitrile
CID 66636103
2-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methyloxolan-3-ol
CID 90882234
(2S,5S)-2-[(2,4-dichlorophenyl)methoxymethyl]-5-methyloxolane
CID 130474408
(3R,4S,5R,6R)-2-chloro-2-methyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 58018263
2,4-dichloro-1-(propoxymethyl)benzene
CID 527851
N-[(2,4-dichlorophenyl)methyl]-N-methyl-1-phenylmethanamine
CID 4542426
methyl (2S,6S)-4-[(2,4-dichlorophenyl)methylamino]-6-methyl-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-5-carboxylate
CID 71499944
(2S,3R,4R,5R)-3-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 118108846
(3R,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-(4,6-dichloropyrrolo[3,2-c]pyridin-1-yl)-3-methyloxolan-3-ol
CID 135061798
(4S,5R)-4-[(4R,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]-5-(iodomethyl)-2,2-dimethyl-1,3-dioxolane
CID 134880472
[(4R,5R)-5-[(4R,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 73057850
2-[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]acetaldehyde
CID 11149732

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methyl-2-phenylmethoxyoxolan-3-ol?
The IUPAC name of 2,4-dichloro-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methyl-2-phenylmethoxyoxolan-3-ol (CID 142670951) is 2,4-dichloro-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methyl-2-phenylmethoxyoxolan-3-ol.
What is the SMILES notation for 2,4-dichloro-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methyl-2-phenylmethoxyoxolan-3-ol?
The canonical SMILES for 2,4-dichloro-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methyl-2-phenylmethoxyoxolan-3-ol is CC1(O)C(Cl)C(COCc2ccc(Cl)cc2Cl)OC1(Cl)OCc1ccccc1.
What is the InChIKey of 2,4-dichloro-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methyl-2-phenylmethoxyoxolan-3-ol?
The InChIKey is AYEPWMGMLZQNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl4O4/c1-19(25)18(23)17(12-26-11-14-7-8-15(21)9-16(14)22)28-20(19,24)27-10-13-5-3-2-4-6-13/h2-9,17-18,25H,10-12H2,1H3.
What are the key properties of 2,4-dichloro-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methyl-2-phenylmethoxyoxolan-3-ol?
2,4-dichloro-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methyl-2-phenylmethoxyoxolan-3-ol has a molecular weight of 466.19 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methyl-2-phenylmethoxyoxolan-3-ol is sourced from PubChem (CID 142670951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).