[4-[2-(4-chlorophenoxy)propanoyloxymethyl]phenyl]methyl 2-(4-chlorophenoxy)propanoate

C26H24Cl2O6 — CID 23737520

IUPAC[4-[2-(4-chlorophenoxy)propanoyloxymethyl]phenyl]methyl 2-(4-chlorophenoxy)propanoate
SMILESCC(Oc1ccc(Cl)cc1)C(=O)OCc1ccc(COC(=O)C(C)Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H24Cl2O6/c1-17(33-23-11-7-21(27)8-12-23)25(29)31-15-19-3-5-20(6-4-19)16-32-26(30)18(2)34-24-13-9-22(28)10-14-24/h3-14,17-18H,15-16H2,1-2H3
InChIKeyOXEHTTHUBGRTOP-UHFFFAOYSA-N
MW503.38 g/mol
LogP6.01
Rot. Bonds10

About [4-[2-(4-chlorophenoxy)propanoyloxymethyl]phenyl]methyl 2-(4-chlorophenoxy)propanoate

[4-[2-(4-chlorophenoxy)propanoyloxymethyl]phenyl]methyl 2-(4-chlorophenoxy)propanoate (PubChem CID 23737520) has the molecular formula C26H24Cl2O6 and a molecular weight of 503.38 g/mol. Its IUPAC name is [4-[2-(4-chlorophenoxy)propanoyloxymethyl]phenyl]methyl 2-(4-chlorophenoxy)propanoate.

Molecular Properties

Compound Name[4-[2-(4-chlorophenoxy)propanoyloxymethyl]phenyl]methyl 2-(4-chlorophenoxy)propanoate
PubChem CID23737520
Molecular FormulaC26H24Cl2O6
Molecular Weight503.38 g/mol
Exact Mass502.09
IUPAC Name[4-[2-(4-chlorophenoxy)propanoyloxymethyl]phenyl]methyl 2-(4-chlorophenoxy)propanoate
SMILESCC(Oc1ccc(Cl)cc1)C(=O)OCc1ccc(COC(=O)C(C)Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H24Cl2O6/c1-17(33-23-11-7-21(27)8-12-23)25(29)31-15-19-3-5-20(6-4-19)16-32-26(30)18(2)34-24-13-9-22(28)10-14-24/h3-14,17-18H,15-16H2,1-2H3
InChIKeyOXEHTTHUBGRTOP-UHFFFAOYSA-N
XLogP6.01
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.38
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[2-(4-chlorophenoxy)propanoyloxymethyl]phenyl]methyl 2-(4-chlorophenoxy)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methylphenyl)methyl 2,2-bis(4-chlorophenoxy)acetate
CID 2378058
(4-chlorophenyl)methyl (2S)-2-aminopropanoate
CID 54528186
ethyl 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]propanoate
CID 5379092
[carbamoyl(methyl)amino] 2-[4-[(4-chlorophenyl)methyl]phenoxy]propanoate
CID 158557120
methyl 4-[2-(4-acetylphenoxy)propanoyloxymethyl]benzoate
CID 42899505
(4-methylphenyl)methyl (2S)-2-(4-cyanophenoxy)propanoate
CID 7978180
methyl 4-[[(2R)-2-(4-acetylphenoxy)propanoyl]oxymethyl]benzoate
CID 41050247
(2S)-2-(4-chlorophenoxy)-N-phenylmethoxypropanamide
CID 26179915
(4-cyanophenyl)methyl (2R)-2-(4-bromophenoxy)propanoate
CID 7754814
benzyl 2-[4-[(2,5-dichlorophenyl)carbamoyl]phenoxy]propanoate
CID 4066862
(4-chlorophenyl)methyl (2S)-2-amino-3-methylpentanoate
CID 65127089
2-(4-chlorophenoxy)propanoate
CID 4556388

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-chlorophenoxy)propanoyloxymethyl]phenyl]methyl 2-(4-chlorophenoxy)propanoate?
The IUPAC name of [4-[2-(4-chlorophenoxy)propanoyloxymethyl]phenyl]methyl 2-(4-chlorophenoxy)propanoate (CID 23737520) is [4-[2-(4-chlorophenoxy)propanoyloxymethyl]phenyl]methyl 2-(4-chlorophenoxy)propanoate.
What is the SMILES notation for [4-[2-(4-chlorophenoxy)propanoyloxymethyl]phenyl]methyl 2-(4-chlorophenoxy)propanoate?
The canonical SMILES for [4-[2-(4-chlorophenoxy)propanoyloxymethyl]phenyl]methyl 2-(4-chlorophenoxy)propanoate is CC(Oc1ccc(Cl)cc1)C(=O)OCc1ccc(COC(=O)C(C)Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of [4-[2-(4-chlorophenoxy)propanoyloxymethyl]phenyl]methyl 2-(4-chlorophenoxy)propanoate?
The InChIKey is OXEHTTHUBGRTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Cl2O6/c1-17(33-23-11-7-21(27)8-12-23)25(29)31-15-19-3-5-20(6-4-19)16-32-26(30)18(2)34-24-13-9-22(28)10-14-24/h3-14,17-18H,15-16H2,1-2H3.
What are the key properties of [4-[2-(4-chlorophenoxy)propanoyloxymethyl]phenyl]methyl 2-(4-chlorophenoxy)propanoate?
[4-[2-(4-chlorophenoxy)propanoyloxymethyl]phenyl]methyl 2-(4-chlorophenoxy)propanoate has a molecular weight of 503.38 g/mol, XLogP of 6.01, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-chlorophenoxy)propanoyloxymethyl]phenyl]methyl 2-(4-chlorophenoxy)propanoate is sourced from PubChem (CID 23737520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).