2-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]acetic acid

C14H9Cl3O3 — CID 13409359

IUPAC2-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]acetic acid
SMILESO=C(O)Cc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9Cl3O3/c15-9-1-3-12(8(5-9)6-14(18)19)20-13-4-2-10(16)7-11(13)17/h1-5,7H,6H2,(H,18,19)
InChIKeyVDTRTTDUCYOYPM-UHFFFAOYSA-N
MW331.58 g/mol
LogP5.07
Rot. Bonds4

About 2-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]acetic acid

2-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]acetic acid (PubChem CID 13409359) has the molecular formula C14H9Cl3O3 and a molecular weight of 331.58 g/mol. Its IUPAC name is 2-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]acetic acid
PubChem CID13409359
Molecular FormulaC14H9Cl3O3
Molecular Weight331.58 g/mol
Exact Mass329.96
IUPAC Name2-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]acetic acid
SMILESO=C(O)Cc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9Cl3O3/c15-9-1-3-12(8(5-9)6-14(18)19)20-13-4-2-10(16)7-11(13)17/h1-5,7H,6H2,(H,18,19)
InChIKeyVDTRTTDUCYOYPM-UHFFFAOYSA-N
XLogP5.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.58
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

sodium 2-(2,4-dichlorophenoxy)acetic acid
CID 91996937
tris(2-(2,4-dichlorophenoxy)acetic acid);samarium
CID 164580360
calcium;2-(2,4-dichlorophenoxy)acetic acid;hydride
CID 173483555
1-[3-chloro-4-(2,4-dichlorophenoxy)phenyl]ethanone
CID 63532509
3-[3-amino-4-(2,4-dichlorophenoxy)phenyl]propanoic acid
CID 70276085
2-amino-5-(2,4-dichlorophenoxy)terephthalic acid
CID 771613
2-[3-[(2,4-dichlorophenoxy)methyl]phenyl]acetic acid
CID 155146115
2-[2-(2-chloro-4-ethylphenoxy)phenyl]acetic acid
CID 15581880
2-[5-chloro-2-(2-chloro-4-fluorophenoxy)phenyl]ethanamine
CID 114862601
5-amino-2-(2,4-dichlorophenoxy)benzoic acid
CID 54888100
2-[2-(4-chloro-2-cyanophenoxy)phenyl]acetic acid
CID 80742621
5-chloro-2-(2,4-dichlorophenoxy)phenol;2-methylprop-2-enoic acid
CID 67533473

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]acetic acid?
The IUPAC name of 2-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]acetic acid (CID 13409359) is 2-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]acetic acid.
What is the SMILES notation for 2-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]acetic acid?
The canonical SMILES for 2-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]acetic acid is O=C(O)Cc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]acetic acid?
The InChIKey is VDTRTTDUCYOYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3O3/c15-9-1-3-12(8(5-9)6-14(18)19)20-13-4-2-10(16)7-11(13)17/h1-5,7H,6H2,(H,18,19).
What are the key properties of 2-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]acetic acid?
2-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]acetic acid has a molecular weight of 331.58 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]acetic acid is sourced from PubChem (CID 13409359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).