2,2-bis(4-chlorophenyl)acetic acid

C14H10Cl2O2 — CID 6730

IUPAC2,2-bis(4-chlorophenyl)acetic acid
SMILESO=C(O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H10Cl2O2/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13H,(H,17,18)
InChIKeyYIOCIFXUGBYCJR-UHFFFAOYSA-N
MW281.14 g/mol
LogP4.21
Rot. Bonds3

About 2,2-bis(4-chlorophenyl)acetic acid

2,2-bis(4-chlorophenyl)acetic acid (PubChem CID 6730) has the molecular formula C14H10Cl2O2 and a molecular weight of 281.14 g/mol. Its IUPAC name is 2,2-bis(4-chlorophenyl)acetic acid.

Molecular Properties

Compound Name2,2-bis(4-chlorophenyl)acetic acid
PubChem CID6730
Molecular FormulaC14H10Cl2O2
Molecular Weight281.14 g/mol
Exact Mass280.01
IUPAC Name2,2-bis(4-chlorophenyl)acetic acid
SMILESO=C(O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H10Cl2O2/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13H,(H,17,18)
InChIKeyYIOCIFXUGBYCJR-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-chlorophenyl)acetic acid?
The IUPAC name of 2,2-bis(4-chlorophenyl)acetic acid (CID 6730) is 2,2-bis(4-chlorophenyl)acetic acid.
What is the SMILES notation for 2,2-bis(4-chlorophenyl)acetic acid?
The canonical SMILES for 2,2-bis(4-chlorophenyl)acetic acid is O=C(O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2,2-bis(4-chlorophenyl)acetic acid?
The InChIKey is YIOCIFXUGBYCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O2/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13H,(H,17,18).
What are the key properties of 2,2-bis(4-chlorophenyl)acetic acid?
2,2-bis(4-chlorophenyl)acetic acid has a molecular weight of 281.14 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-chlorophenyl)acetic acid is sourced from PubChem (CID 6730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).