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

C15H12Cl2O3 — CID 13409361

IUPAC2-[5-chloro-2-(2-chloro-4-methylphenoxy)phenyl]acetic acid
SMILESCc1ccc(Oc2ccc(Cl)cc2CC(=O)O)c(Cl)c1
InChIInChI=1S/C15H12Cl2O3/c1-9-2-4-14(12(17)6-9)20-13-5-3-11(16)7-10(13)8-15(18)19/h2-7H,8H2,1H3,(H,18,19)
InChIKeyLIFROLSLSFRQFA-UHFFFAOYSA-N
MW311.16 g/mol
LogP4.72
Rot. Bonds4

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

2-[5-chloro-2-(2-chloro-4-methylphenoxy)phenyl]acetic acid (PubChem CID 13409361) has the molecular formula C15H12Cl2O3 and a molecular weight of 311.16 g/mol. Its IUPAC name is 2-[5-chloro-2-(2-chloro-4-methylphenoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[5-chloro-2-(2-chloro-4-methylphenoxy)phenyl]acetic acid
PubChem CID13409361
Molecular FormulaC15H12Cl2O3
Molecular Weight311.16 g/mol
Exact Mass310.02
IUPAC Name2-[5-chloro-2-(2-chloro-4-methylphenoxy)phenyl]acetic acid
SMILESCc1ccc(Oc2ccc(Cl)cc2CC(=O)O)c(Cl)c1
InChIInChI=1S/C15H12Cl2O3/c1-9-2-4-14(12(17)6-9)20-13-5-3-11(16)7-10(13)8-15(18)19/h2-7H,8H2,1H3,(H,18,19)
InChIKeyLIFROLSLSFRQFA-UHFFFAOYSA-N
XLogP4.72
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.16
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(2-chloro-4-methylphenoxy)phenyl]acetic acid?
The IUPAC name of 2-[5-chloro-2-(2-chloro-4-methylphenoxy)phenyl]acetic acid (CID 13409361) is 2-[5-chloro-2-(2-chloro-4-methylphenoxy)phenyl]acetic acid.
What is the SMILES notation for 2-[5-chloro-2-(2-chloro-4-methylphenoxy)phenyl]acetic acid?
The canonical SMILES for 2-[5-chloro-2-(2-chloro-4-methylphenoxy)phenyl]acetic acid is Cc1ccc(Oc2ccc(Cl)cc2CC(=O)O)c(Cl)c1.
What is the InChIKey of 2-[5-chloro-2-(2-chloro-4-methylphenoxy)phenyl]acetic acid?
The InChIKey is LIFROLSLSFRQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O3/c1-9-2-4-14(12(17)6-9)20-13-5-3-11(16)7-10(13)8-15(18)19/h2-7H,8H2,1H3,(H,18,19).
What are the key properties of 2-[5-chloro-2-(2-chloro-4-methylphenoxy)phenyl]acetic acid?
2-[5-chloro-2-(2-chloro-4-methylphenoxy)phenyl]acetic acid has a molecular weight of 311.16 g/mol, XLogP of 4.72, 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-chloro-4-methylphenoxy)phenyl]acetic acid is sourced from PubChem (CID 13409361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).