ethyl 2-[4-(2,6-dichloro-3-methylphenoxy)phenoxy]propanoate

C18H18Cl2O4 — CID 11245621

IUPACethyl 2-[4-(2,6-dichloro-3-methylphenoxy)phenoxy]propanoate
SMILESCCOC(=O)C(C)Oc1ccc(Oc2c(Cl)ccc(C)c2Cl)cc1
InChIInChI=1S/C18H18Cl2O4/c1-4-22-18(21)12(3)23-13-6-8-14(9-7-13)24-17-15(19)10-5-11(2)16(17)20/h5-10,12H,4H2,1-3H3
InChIKeyAQCFIWNZJPHZOQ-UHFFFAOYSA-N
MW369.24 g/mol
LogP5.42
Rot. Bonds6

About ethyl 2-[4-(2,6-dichloro-3-methylphenoxy)phenoxy]propanoate

ethyl 2-[4-(2,6-dichloro-3-methylphenoxy)phenoxy]propanoate (PubChem CID 11245621) has the molecular formula C18H18Cl2O4 and a molecular weight of 369.24 g/mol. Its IUPAC name is ethyl 2-[4-(2,6-dichloro-3-methylphenoxy)phenoxy]propanoate.

Molecular Properties

Compound Nameethyl 2-[4-(2,6-dichloro-3-methylphenoxy)phenoxy]propanoate
PubChem CID11245621
Molecular FormulaC18H18Cl2O4
Molecular Weight369.24 g/mol
Exact Mass368.06
IUPAC Nameethyl 2-[4-(2,6-dichloro-3-methylphenoxy)phenoxy]propanoate
SMILESCCOC(=O)C(C)Oc1ccc(Oc2c(Cl)ccc(C)c2Cl)cc1
InChIInChI=1S/C18H18Cl2O4/c1-4-22-18(21)12(3)23-13-6-8-14(9-7-13)24-17-15(19)10-5-11(2)16(17)20/h5-10,12H,4H2,1-3H3
InChIKeyAQCFIWNZJPHZOQ-UHFFFAOYSA-N
XLogP5.42
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 ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2,6-dichlorophenoxy)propanoate
CID 13177850
2-[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenoxy]propanoic acid
CID 90478258
ethyl (2S)-2-(4-methoxyphenoxy)propanoate
CID 94606551
ethyl 2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoate
CID 67661567
CID 59993707
CID 59993707
ethyl 2-(4-iodophenoxy)propanoate
CID 17024636
ethyl 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]propanoate
CID 5379092
ethyl 2-(2,4-dichloro-3-methylphenoxy)propanoate
CID 14721691
ethyl 2-(4-phenylphenoxy)propanoate
CID 10956576
2-ethoxyethyl (2S)-2-[4-[(3,6-dichloro-2-pyridinyl)oxy]phenoxy]propanoate
CID 7716442
ethyl (2R)-2-naphthalen-2-yloxypropanoate
CID 842728
ethyl 2-[4-[(5-bromo-2-pyridinyl)oxy]phenoxy]propanoate
CID 21162883

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(2,6-dichloro-3-methylphenoxy)phenoxy]propanoate?
The IUPAC name of ethyl 2-[4-(2,6-dichloro-3-methylphenoxy)phenoxy]propanoate (CID 11245621) is ethyl 2-[4-(2,6-dichloro-3-methylphenoxy)phenoxy]propanoate.
What is the SMILES notation for ethyl 2-[4-(2,6-dichloro-3-methylphenoxy)phenoxy]propanoate?
The canonical SMILES for ethyl 2-[4-(2,6-dichloro-3-methylphenoxy)phenoxy]propanoate is CCOC(=O)C(C)Oc1ccc(Oc2c(Cl)ccc(C)c2Cl)cc1.
What is the InChIKey of ethyl 2-[4-(2,6-dichloro-3-methylphenoxy)phenoxy]propanoate?
The InChIKey is AQCFIWNZJPHZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2O4/c1-4-22-18(21)12(3)23-13-6-8-14(9-7-13)24-17-15(19)10-5-11(2)16(17)20/h5-10,12H,4H2,1-3H3.
What are the key properties of ethyl 2-[4-(2,6-dichloro-3-methylphenoxy)phenoxy]propanoate?
ethyl 2-[4-(2,6-dichloro-3-methylphenoxy)phenoxy]propanoate has a molecular weight of 369.24 g/mol, XLogP of 5.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(2,6-dichloro-3-methylphenoxy)phenoxy]propanoate is sourced from PubChem (CID 11245621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).