2-[4-(3,5-dichlorophenyl)phenyl]acetic acid

C14H10Cl2O2 — CID 2758083

IUPAC2-[4-(3,5-dichlorophenyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C14H10Cl2O2/c15-12-6-11(7-13(16)8-12)10-3-1-9(2-4-10)5-14(17)18/h1-4,6-8H,5H2,(H,17,18)
InChIKeyKPEHTZJHYFTNKD-UHFFFAOYSA-N
MW281.14 g/mol
LogP4.29
Rot. Bonds3

About 2-[4-(3,5-dichlorophenyl)phenyl]acetic acid

2-[4-(3,5-dichlorophenyl)phenyl]acetic acid (PubChem CID 2758083) has the molecular formula C14H10Cl2O2 and a molecular weight of 281.14 g/mol. Its IUPAC name is 2-[4-(3,5-dichlorophenyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(3,5-dichlorophenyl)phenyl]acetic acid
PubChem CID2758083
Molecular FormulaC14H10Cl2O2
Molecular Weight281.14 g/mol
Exact Mass280.01
IUPAC Name2-[4-(3,5-dichlorophenyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C14H10Cl2O2/c15-12-6-11(7-13(16)8-12)10-3-1-9(2-4-10)5-14(17)18/h1-4,6-8H,5H2,(H,17,18)
InChIKeyKPEHTZJHYFTNKD-UHFFFAOYSA-N
XLogP4.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dichlorophenyl)phenyl]acetic acid?
The IUPAC name of 2-[4-(3,5-dichlorophenyl)phenyl]acetic acid (CID 2758083) is 2-[4-(3,5-dichlorophenyl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(3,5-dichlorophenyl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(3,5-dichlorophenyl)phenyl]acetic acid is O=C(O)Cc1ccc(-c2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of 2-[4-(3,5-dichlorophenyl)phenyl]acetic acid?
The InChIKey is KPEHTZJHYFTNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O2/c15-12-6-11(7-13(16)8-12)10-3-1-9(2-4-10)5-14(17)18/h1-4,6-8H,5H2,(H,17,18).
What are the key properties of 2-[4-(3,5-dichlorophenyl)phenyl]acetic acid?
2-[4-(3,5-dichlorophenyl)phenyl]acetic acid has a molecular weight of 281.14 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dichlorophenyl)phenyl]acetic acid is sourced from PubChem (CID 2758083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).