2-[3-(2-chloro-4-fluorophenyl)phenyl]acetic acid

C14H10ClFO2 — CID 155508313

IUPAC2-[3-(2-chloro-4-fluorophenyl)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(-c2ccc(F)cc2Cl)c1
InChIInChI=1S/C14H10ClFO2/c15-13-8-11(16)4-5-12(13)10-3-1-2-9(6-10)7-14(17)18/h1-6,8H,7H2,(H,17,18)
InChIKeyZIMUTQIAFUAUCP-UHFFFAOYSA-N
MW264.68 g/mol
LogP3.77
Rot. Bonds3

About 2-[3-(2-chloro-4-fluorophenyl)phenyl]acetic acid

2-[3-(2-chloro-4-fluorophenyl)phenyl]acetic acid (PubChem CID 155508313) has the molecular formula C14H10ClFO2 and a molecular weight of 264.68 g/mol. Its IUPAC name is 2-[3-(2-chloro-4-fluorophenyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(2-chloro-4-fluorophenyl)phenyl]acetic acid
PubChem CID155508313
Molecular FormulaC14H10ClFO2
Molecular Weight264.68 g/mol
Exact Mass264.04
IUPAC Name2-[3-(2-chloro-4-fluorophenyl)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(-c2ccc(F)cc2Cl)c1
InChIInChI=1S/C14H10ClFO2/c15-13-8-11(16)4-5-12(13)10-3-1-2-9(6-10)7-14(17)18/h1-6,8H,7H2,(H,17,18)
InChIKeyZIMUTQIAFUAUCP-UHFFFAOYSA-N
XLogP3.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.68
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-[2-[3-(carboxymethyl)phenyl]phenyl]phenyl]acetic acid
CID 118456825
2-[5-(2-chloro-4-fluorophenyl)-2-fluorophenyl]acetic acid
CID 176548281
2-[3-[3-(2-chloro-4-fluorophenyl)phenoxy]-5-methoxyphenyl]acetic acid
CID 59803449
2-[3-[3-(2,4-difluorophenyl)phenoxy]phenyl]acetic acid
CID 59803406
2-[3-chloro-4-(3-methoxyphenyl)phenyl]acetic acid
CID 176516046
2-[3-[3-[2-chloro-4-(trifluoromethyl)phenyl]phenoxy]phenyl]acetic acid
CID 59803462
2-[5-chloro-6-(3-fluorophenyl)-3-pyridinyl]acetic acid
CID 131869835
3-(2-chloro-4-fluorophenyl)benzaldehyde
CID 50998586
2-[3-[3-(hydroxymethyl)phenyl]phenyl]acetic acid
CID 1392506
2-[3-(5-fluoro-3-pyridinyl)phenyl]acetic acid
CID 155509609
2-[3-[7-chloro-6-[4-(2-fluorophenyl)phenyl]-2-oxo-1H-quinolin-3-yl]phenyl]acetic acid
CID 162354351
2-[3-(2,3-dichlorophenyl)-4-fluorophenyl]acetic acid
CID 118852499

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chloro-4-fluorophenyl)phenyl]acetic acid?
The IUPAC name of 2-[3-(2-chloro-4-fluorophenyl)phenyl]acetic acid (CID 155508313) is 2-[3-(2-chloro-4-fluorophenyl)phenyl]acetic acid.
What is the SMILES notation for 2-[3-(2-chloro-4-fluorophenyl)phenyl]acetic acid?
The canonical SMILES for 2-[3-(2-chloro-4-fluorophenyl)phenyl]acetic acid is O=C(O)Cc1cccc(-c2ccc(F)cc2Cl)c1.
What is the InChIKey of 2-[3-(2-chloro-4-fluorophenyl)phenyl]acetic acid?
The InChIKey is ZIMUTQIAFUAUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFO2/c15-13-8-11(16)4-5-12(13)10-3-1-2-9(6-10)7-14(17)18/h1-6,8H,7H2,(H,17,18).
What are the key properties of 2-[3-(2-chloro-4-fluorophenyl)phenyl]acetic acid?
2-[3-(2-chloro-4-fluorophenyl)phenyl]acetic acid has a molecular weight of 264.68 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chloro-4-fluorophenyl)phenyl]acetic acid is sourced from PubChem (CID 155508313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).