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

C14H9Cl3O2 — CID 176516194

IUPAC2-[2-chloro-4-(2,5-dichlorophenyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2cc(Cl)ccc2Cl)cc1Cl
InChIInChI=1S/C14H9Cl3O2/c15-10-3-4-12(16)11(7-10)8-1-2-9(6-14(18)19)13(17)5-8/h1-5,7H,6H2,(H,18,19)
InChIKeyRTZCKHWYJJKVPB-UHFFFAOYSA-N
MW315.58 g/mol
LogP4.94
Rot. Bonds3

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

2-[2-chloro-4-(2,5-dichlorophenyl)phenyl]acetic acid (PubChem CID 176516194) has the molecular formula C14H9Cl3O2 and a molecular weight of 315.58 g/mol. Its IUPAC name is 2-[2-chloro-4-(2,5-dichlorophenyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-chloro-4-(2,5-dichlorophenyl)phenyl]acetic acid
PubChem CID176516194
Molecular FormulaC14H9Cl3O2
Molecular Weight315.58 g/mol
Exact Mass313.97
IUPAC Name2-[2-chloro-4-(2,5-dichlorophenyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2cc(Cl)ccc2Cl)cc1Cl
InChIInChI=1S/C14H9Cl3O2/c15-10-3-4-12(16)11(7-10)8-1-2-9(6-14(18)19)13(17)5-8/h1-5,7H,6H2,(H,18,19)
InChIKeyRTZCKHWYJJKVPB-UHFFFAOYSA-N
XLogP4.94
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.58
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-chloro-4-(2-chlorophenyl)phenyl]acetic acid
CID 176516186
2-[3-chloro-5-(2,5-dichlorophenyl)-2-pyridinyl]acetic acid
CID 133088297
2-chloro-4-(2,5-dichlorophenyl)benzoic acid
CID 53227705
2-[2-chloro-4-(2,4,6-trichlorophenyl)phenyl]acetic acid
CID 134622770
2-[2-(2,5-dichlorophenyl)-6-fluoro-3-pyridinyl]acetic acid
CID 133090909
2-[5-(2,5-dichlorophenyl)-2-oxo-1H-pyridin-3-yl]acetic acid
CID 133093162
5-(2,5-dichlorophenyl)-2-fluorobenzoic acid
CID 53211132
2-[4-(2,5-dichlorophenyl)phenyl]-2-hydroxyacetic acid
CID 82040010
4-(2,5-dichlorophenyl)-2-fluorobenzoic acid
CID 53211133
[5-(2,5-dichlorophenyl)-2-fluorophenyl]methanol
CID 118824338
2-[2-chloro-4-(3,5-difluorophenyl)phenyl]acetic acid
CID 176516224
2-[2-chloro-4-[2-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 134625865

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(2,5-dichlorophenyl)phenyl]acetic acid?
The IUPAC name of 2-[2-chloro-4-(2,5-dichlorophenyl)phenyl]acetic acid (CID 176516194) is 2-[2-chloro-4-(2,5-dichlorophenyl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-chloro-4-(2,5-dichlorophenyl)phenyl]acetic acid?
The canonical SMILES for 2-[2-chloro-4-(2,5-dichlorophenyl)phenyl]acetic acid is O=C(O)Cc1ccc(-c2cc(Cl)ccc2Cl)cc1Cl.
What is the InChIKey of 2-[2-chloro-4-(2,5-dichlorophenyl)phenyl]acetic acid?
The InChIKey is RTZCKHWYJJKVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3O2/c15-10-3-4-12(16)11(7-10)8-1-2-9(6-14(18)19)13(17)5-8/h1-5,7H,6H2,(H,18,19).
What are the key properties of 2-[2-chloro-4-(2,5-dichlorophenyl)phenyl]acetic acid?
2-[2-chloro-4-(2,5-dichlorophenyl)phenyl]acetic acid has a molecular weight of 315.58 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(2,5-dichlorophenyl)phenyl]acetic acid is sourced from PubChem (CID 176516194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).