2-[4-(5-chloro-2-methylphenyl)phenoxy]acetic acid

C15H13ClO3 — CID 82039313

IUPAC2-[4-(5-chloro-2-methylphenyl)phenoxy]acetic acid
SMILESCc1ccc(Cl)cc1-c1ccc(OCC(=O)O)cc1
InChIInChI=1S/C15H13ClO3/c1-10-2-5-12(16)8-14(10)11-3-6-13(7-4-11)19-9-15(17)18/h2-8H,9H2,1H3,(H,17,18)
InChIKeyXJAVNLKBAFQSLD-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.78
Rot. Bonds4

About 2-[4-(5-chloro-2-methylphenyl)phenoxy]acetic acid

2-[4-(5-chloro-2-methylphenyl)phenoxy]acetic acid (PubChem CID 82039313) has the molecular formula C15H13ClO3 and a molecular weight of 276.72 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-methylphenyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(5-chloro-2-methylphenyl)phenoxy]acetic acid
PubChem CID82039313
Molecular FormulaC15H13ClO3
Molecular Weight276.72 g/mol
Exact Mass276.06
IUPAC Name2-[4-(5-chloro-2-methylphenyl)phenoxy]acetic acid
SMILESCc1ccc(Cl)cc1-c1ccc(OCC(=O)O)cc1
InChIInChI=1S/C15H13ClO3/c1-10-2-5-12(16)8-14(10)11-3-6-13(7-4-11)19-9-15(17)18/h2-8H,9H2,1H3,(H,17,18)
InChIKeyXJAVNLKBAFQSLD-UHFFFAOYSA-N
XLogP3.78
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(5-amino-2-methylphenyl)phenoxy]acetic acid
CID 82039012
bis(2-(4-chlorophenoxy)acetic acid);zinc
CID 11201418
2-(4-chlorophenoxy)acetic acid;ethyl(dimethyl)stannane
CID 174737533
2-[4-(2,5-difluorophenyl)phenoxy]acetic acid
CID 82039119
2-[3-(4-chlorophenyl)-2-oxochromen-7-yl]oxyacetic acid
CID 1383018
2-[4-(3,5-dimethylphenyl)phenoxy]acetic acid
CID 66680223
4-chloro-2-(4-ethoxyphenyl)benzoic acid
CID 107989630
3-[4-(5-chloro-2-fluorophenyl)phenoxy]propanoic acid
CID 171854747
ethane;2-(3-fluoro-4-methylphenoxy)acetic acid
CID 155714293
2-(7-chloronaphthalen-2-yl)oxyacetic acid
CID 154365176
2-chloro-N,N-dimethylethanamine;2-(4-chlorophenoxy)acetic acid
CID 159778479
2-[3-[2-[1-(4-chlorophenyl)-5-(3,4-dimethylphenyl)pyrazol-3-yl]phenyl]phenoxy]acetic acid
CID 141234330

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-2-methylphenyl)phenoxy]acetic acid?
The IUPAC name of 2-[4-(5-chloro-2-methylphenyl)phenoxy]acetic acid (CID 82039313) is 2-[4-(5-chloro-2-methylphenyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(5-chloro-2-methylphenyl)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(5-chloro-2-methylphenyl)phenoxy]acetic acid is Cc1ccc(Cl)cc1-c1ccc(OCC(=O)O)cc1.
What is the InChIKey of 2-[4-(5-chloro-2-methylphenyl)phenoxy]acetic acid?
The InChIKey is XJAVNLKBAFQSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO3/c1-10-2-5-12(16)8-14(10)11-3-6-13(7-4-11)19-9-15(17)18/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 2-[4-(5-chloro-2-methylphenyl)phenoxy]acetic acid?
2-[4-(5-chloro-2-methylphenyl)phenoxy]acetic acid has a molecular weight of 276.72 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-2-methylphenyl)phenoxy]acetic acid is sourced from PubChem (CID 82039313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).