propan-2-yl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate

C18H18Cl2O4 — CID 12767799

IUPACpropan-2-yl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate
SMILESCC(C)OC(=O)C(C)Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H18Cl2O4/c1-11(2)22-18(21)12(3)23-14-5-7-15(8-6-14)24-17-9-4-13(19)10-16(17)20/h4-12H,1-3H3
InChIKeyCXLIMONXKCQUTC-UHFFFAOYSA-N
MW369.24 g/mol
LogP5.50
Rot. Bonds6

About propan-2-yl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate

propan-2-yl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate (PubChem CID 12767799) has the molecular formula C18H18Cl2O4 and a molecular weight of 369.24 g/mol. Its IUPAC name is propan-2-yl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate.

Molecular Properties

Compound Namepropan-2-yl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate
PubChem CID12767799
Molecular FormulaC18H18Cl2O4
Molecular Weight369.24 g/mol
Exact Mass368.06
IUPAC Namepropan-2-yl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate
SMILESCC(C)OC(=O)C(C)Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H18Cl2O4/c1-11(2)22-18(21)12(3)23-14-5-7-15(8-6-14)24-17-9-4-13(19)10-16(17)20/h4-12H,1-3H3
InChIKeyCXLIMONXKCQUTC-UHFFFAOYSA-N
XLogP5.50
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.24
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2,4-dichlorophenoxy)phenoxy]propan-1-ol
CID 12804883
(1-phenylethenylamino)oxymethyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate
CID 57317198
pentan-2-yl 2-[4-(4-bromo-2-chlorophenoxy)phenoxy]propanoate
CID 57175262
(2S)-2-[4-(2,4-dichlorophenoxy)phenoxy]butanoic acid
CID 67627355
amino (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 170104927
methyl 2-[4-(4-chloro-2-cyanophenoxy)phenoxy]propanoate
CID 12893344
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7872946
methyl 2-[4-(4-chloro-2-nitrophenoxy)phenoxy]propanoate
CID 12883849
1-chloro-4-(4-chlorophenoxy)benzene;1-[5-chloro-2-(4-chlorophenoxy)phenyl]ethanone;1-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]ethanone;2,4-dichloro-1-(4-chlorophenoxy)benzene;methane
CID 160666501
methyl 4-(2,4-dichlorophenoxy)benzoate
CID 28911715
N'-[2-(2,4-dichlorophenoxy)propanoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 43004127
(2R)-2-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]propanoic acid
CID 124566804

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate?
The IUPAC name of propan-2-yl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate (CID 12767799) is propan-2-yl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate.
What is the SMILES notation for propan-2-yl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate?
The canonical SMILES for propan-2-yl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate is CC(C)OC(=O)C(C)Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of propan-2-yl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate?
The InChIKey is CXLIMONXKCQUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2O4/c1-11(2)22-18(21)12(3)23-14-5-7-15(8-6-14)24-17-9-4-13(19)10-16(17)20/h4-12H,1-3H3.
What are the key properties of propan-2-yl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate?
propan-2-yl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate has a molecular weight of 369.24 g/mol, XLogP of 5.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate is sourced from PubChem (CID 12767799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).