2-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methyloxolan-3-ol

C20H20Cl4O4 — CID 90882234

IUPAC2-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methyloxolan-3-ol
SMILESCC1(O)CC(COCc2ccc(Cl)cc2Cl)OC1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H20Cl4O4/c1-20(25)8-16(11-26-9-12-2-4-14(21)6-17(12)23)28-19(20)27-10-13-3-5-15(22)7-18(13)24/h2-7,16,19,25H,8-11H2,1H3
InChIKeyVMDLXEZWOPZQNW-UHFFFAOYSA-N
MW466.19 g/mol
LogP5.90
Rot. Bonds7

About 2-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methyloxolan-3-ol

2-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methyloxolan-3-ol (PubChem CID 90882234) has the molecular formula C20H20Cl4O4 and a molecular weight of 466.19 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methyloxolan-3-ol.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methyloxolan-3-ol
PubChem CID90882234
Molecular FormulaC20H20Cl4O4
Molecular Weight466.19 g/mol
Exact Mass464.01
IUPAC Name2-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methyloxolan-3-ol
SMILESCC1(O)CC(COCc2ccc(Cl)cc2Cl)OC1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H20Cl4O4/c1-20(25)8-16(11-26-9-12-2-4-14(21)6-17(12)23)28-19(20)27-10-13-3-5-15(22)7-18(13)24/h2-7,16,19,25H,8-11H2,1H3
InChIKeyVMDLXEZWOPZQNW-UHFFFAOYSA-N
XLogP5.90
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 ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,5S)-2-[(2,4-dichlorophenyl)methoxymethyl]-5-methyloxolane
CID 130474408
(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
(1R,2S,4S)-2-[(2,4-dichlorophenyl)methoxy]-1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
CID 70441584
2,4-dichloro-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methyl-2-phenylmethoxyoxolan-3-ol
CID 142670951
2-[(2-chloro-4-methylphenyl)methoxymethyl]-6-methylmorpholine
CID 106864801
2,4-dichloro-1-(propoxymethyl)benzene
CID 527851
(2S)-2-[(2,4-dichlorophenyl)methoxymethyl]piperidine
CID 35754068
2-[4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methyl-3-phenylmethoxyoxolan-2-yl]acetonitrile
CID 66636103
3-chloro-4-[(6-methylmorpholin-2-yl)methoxymethyl]benzamide
CID 102668905
2-[(2,4-dichlorophenyl)methoxy]ethanamine
CID 14821323
(2R,3R,4R,5S)-3,4-bis[(2,4-dichlorophenyl)methoxy]-2-[(2,4-dichlorophenyl)methoxymethyl]-5-methoxyoxolane;(2S,3S,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-methoxy-3-methyloxolan-3-ol;(2S,3R,4S,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-methoxyoxolan-3-ol;(2S,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-methoxyoxolan-3-one;(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol;(2S,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 157096899
(1R,2S,4S)-2-[(2,4-dichlorophenyl)methoxy]-4-hexyl-1-methyl-7-oxabicyclo[2.2.1]heptane
CID 70442716

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methyloxolan-3-ol?
The IUPAC name of 2-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methyloxolan-3-ol (CID 90882234) is 2-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methyloxolan-3-ol.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methyloxolan-3-ol?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methyloxolan-3-ol is CC1(O)CC(COCc2ccc(Cl)cc2Cl)OC1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methyloxolan-3-ol?
The InChIKey is VMDLXEZWOPZQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl4O4/c1-20(25)8-16(11-26-9-12-2-4-14(21)6-17(12)23)28-19(20)27-10-13-3-5-15(22)7-18(13)24/h2-7,16,19,25H,8-11H2,1H3.
What are the key properties of 2-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methyloxolan-3-ol?
2-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methyloxolan-3-ol has a molecular weight of 466.19 g/mol, XLogP of 5.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methyloxolan-3-ol is sourced from PubChem (CID 90882234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).