[3-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy-2-hydroxypropyl] 2-(4-chlorophenoxy)-2-methylpropanoate

C23H26Cl2O7 — CID 22768000

IUPAC[3-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy-2-hydroxypropyl] 2-(4-chlorophenoxy)-2-methylpropanoate
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)OCC(O)COC(=O)C(C)(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C23H26Cl2O7/c1-22(2,31-18-9-5-15(24)6-10-18)20(27)29-13-17(26)14-30-21(28)23(3,4)32-19-11-7-16(25)8-12-19/h5-12,17,26H,13-14H2,1-4H3
InChIKeyJLWKPDBTSOFSTR-UHFFFAOYSA-N
MW485.36 g/mol
LogP4.46
Rot. Bonds10

About [3-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy-2-hydroxypropyl] 2-(4-chlorophenoxy)-2-methylpropanoate

[3-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy-2-hydroxypropyl] 2-(4-chlorophenoxy)-2-methylpropanoate (PubChem CID 22768000) has the molecular formula C23H26Cl2O7 and a molecular weight of 485.36 g/mol. Its IUPAC name is [3-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy-2-hydroxypropyl] 2-(4-chlorophenoxy)-2-methylpropanoate.

Molecular Properties

Compound Name[3-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy-2-hydroxypropyl] 2-(4-chlorophenoxy)-2-methylpropanoate
PubChem CID22768000
Molecular FormulaC23H26Cl2O7
Molecular Weight485.36 g/mol
Exact Mass484.11
IUPAC Name[3-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy-2-hydroxypropyl] 2-(4-chlorophenoxy)-2-methylpropanoate
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)OCC(O)COC(=O)C(C)(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C23H26Cl2O7/c1-22(2,31-18-9-5-15(24)6-10-18)20(27)29-13-17(26)14-30-21(28)23(3,4)32-19-11-7-16(25)8-12-19/h5-12,17,26H,13-14H2,1-4H3
InChIKeyJLWKPDBTSOFSTR-UHFFFAOYSA-N
XLogP4.46
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.36
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [3-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy-2-hydroxypropyl] 2-(4-chlorophenoxy)-2-methylpropanoate with MolForge

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Related Compounds

ethyl 2-(4-chlorophenoxy)-2-methylpropanoate;dihydrate
CID 70531737
ethyl 2-(4-chlorophenoxy)-2-methylpropanoate;hydroiodide
CID 175590665
(2,3,4,5,6-pentafluorophenyl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate
CID 524789
[(2S)-1-amino-1-oxopropan-2-yl] 2-(4-chlorophenoxy)-2-methylpropanoate
CID 7951044
phenacyl 2-(4-chlorophenoxy)-2-methylpropanoate
CID 782046
propyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
CID 71360491
2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanamide
CID 3044350
1-bromopropyl 2-(4-chlorophenoxy)-2-methylpropanoate
CID 174991431
CID 131878857
CID 131878857
2-(4-chlorophenoxy)-2-methylpropanoate
CID 6918953
(2-methylpropan-2-yl)oxycarbonyloxymethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
CID 56666790
[2-(cyclopropylamino)-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate
CID 7762853

Frequently Asked Questions

What is the IUPAC name of [3-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy-2-hydroxypropyl] 2-(4-chlorophenoxy)-2-methylpropanoate?
The IUPAC name of [3-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy-2-hydroxypropyl] 2-(4-chlorophenoxy)-2-methylpropanoate (CID 22768000) is [3-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy-2-hydroxypropyl] 2-(4-chlorophenoxy)-2-methylpropanoate.
What is the SMILES notation for [3-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy-2-hydroxypropyl] 2-(4-chlorophenoxy)-2-methylpropanoate?
The canonical SMILES for [3-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy-2-hydroxypropyl] 2-(4-chlorophenoxy)-2-methylpropanoate is CC(C)(Oc1ccc(Cl)cc1)C(=O)OCC(O)COC(=O)C(C)(C)Oc1ccc(Cl)cc1.
What is the InChIKey of [3-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy-2-hydroxypropyl] 2-(4-chlorophenoxy)-2-methylpropanoate?
The InChIKey is JLWKPDBTSOFSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2O7/c1-22(2,31-18-9-5-15(24)6-10-18)20(27)29-13-17(26)14-30-21(28)23(3,4)32-19-11-7-16(25)8-12-19/h5-12,17,26H,13-14H2,1-4H3.
What are the key properties of [3-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy-2-hydroxypropyl] 2-(4-chlorophenoxy)-2-methylpropanoate?
[3-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy-2-hydroxypropyl] 2-(4-chlorophenoxy)-2-methylpropanoate has a molecular weight of 485.36 g/mol, XLogP of 4.46, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy-2-hydroxypropyl] 2-(4-chlorophenoxy)-2-methylpropanoate is sourced from PubChem (CID 22768000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).