3-chloro-5-(3-chloro-5-fluorophenyl)phenol

C12H7Cl2FO — CID 53221372

IUPAC3-chloro-5-(3-chloro-5-fluorophenyl)phenol
SMILESOc1cc(Cl)cc(-c2cc(F)cc(Cl)c2)c1
InChIInChI=1S/C12H7Cl2FO/c13-9-1-7(3-11(15)5-9)8-2-10(14)6-12(16)4-8/h1-6,16H
InChIKeyAKPKFOIAXNUBSU-UHFFFAOYSA-N
MW257.09 g/mol
LogP4.51
Rot. Bonds1

About 3-chloro-5-(3-chloro-5-fluorophenyl)phenol

3-chloro-5-(3-chloro-5-fluorophenyl)phenol (PubChem CID 53221372) has the molecular formula C12H7Cl2FO and a molecular weight of 257.09 g/mol. Its IUPAC name is 3-chloro-5-(3-chloro-5-fluorophenyl)phenol.

Molecular Properties

Compound Name3-chloro-5-(3-chloro-5-fluorophenyl)phenol
PubChem CID53221372
Molecular FormulaC12H7Cl2FO
Molecular Weight257.09 g/mol
Exact Mass255.99
IUPAC Name3-chloro-5-(3-chloro-5-fluorophenyl)phenol
SMILESOc1cc(Cl)cc(-c2cc(F)cc(Cl)c2)c1
InChIInChI=1S/C12H7Cl2FO/c13-9-1-7(3-11(15)5-9)8-2-10(14)6-12(16)4-8/h1-6,16H
InChIKeyAKPKFOIAXNUBSU-UHFFFAOYSA-N
XLogP4.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.09
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(3-chloro-5-fluorophenyl)phenol?
The IUPAC name of 3-chloro-5-(3-chloro-5-fluorophenyl)phenol (CID 53221372) is 3-chloro-5-(3-chloro-5-fluorophenyl)phenol.
What is the SMILES notation for 3-chloro-5-(3-chloro-5-fluorophenyl)phenol?
The canonical SMILES for 3-chloro-5-(3-chloro-5-fluorophenyl)phenol is Oc1cc(Cl)cc(-c2cc(F)cc(Cl)c2)c1.
What is the InChIKey of 3-chloro-5-(3-chloro-5-fluorophenyl)phenol?
The InChIKey is AKPKFOIAXNUBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2FO/c13-9-1-7(3-11(15)5-9)8-2-10(14)6-12(16)4-8/h1-6,16H.
What are the key properties of 3-chloro-5-(3-chloro-5-fluorophenyl)phenol?
3-chloro-5-(3-chloro-5-fluorophenyl)phenol has a molecular weight of 257.09 g/mol, XLogP of 4.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(3-chloro-5-fluorophenyl)phenol is sourced from PubChem (CID 53221372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).