2-chloro-5-(2,4-difluorophenyl)phenol

C12H7ClF2O — CID 53221267

IUPAC2-chloro-5-(2,4-difluorophenyl)phenol
SMILESOc1cc(-c2ccc(F)cc2F)ccc1Cl
InChIInChI=1S/C12H7ClF2O/c13-10-4-1-7(5-12(10)16)9-3-2-8(14)6-11(9)15/h1-6,16H
InChIKeyJJFHMMLNGKBYLR-UHFFFAOYSA-N
MW240.64 g/mol
LogP3.99
Rot. Bonds1

About 2-chloro-5-(2,4-difluorophenyl)phenol

2-chloro-5-(2,4-difluorophenyl)phenol (PubChem CID 53221267) has the molecular formula C12H7ClF2O and a molecular weight of 240.64 g/mol. Its IUPAC name is 2-chloro-5-(2,4-difluorophenyl)phenol.

Molecular Properties

Compound Name2-chloro-5-(2,4-difluorophenyl)phenol
PubChem CID53221267
Molecular FormulaC12H7ClF2O
Molecular Weight240.64 g/mol
Exact Mass240.02
IUPAC Name2-chloro-5-(2,4-difluorophenyl)phenol
SMILESOc1cc(-c2ccc(F)cc2F)ccc1Cl
InChIInChI=1S/C12H7ClF2O/c13-10-4-1-7(5-12(10)16)9-3-2-8(14)6-11(9)15/h1-6,16H
InChIKeyJJFHMMLNGKBYLR-UHFFFAOYSA-N
XLogP3.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.64
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2,4-difluorophenyl)phenol?
The IUPAC name of 2-chloro-5-(2,4-difluorophenyl)phenol (CID 53221267) is 2-chloro-5-(2,4-difluorophenyl)phenol.
What is the SMILES notation for 2-chloro-5-(2,4-difluorophenyl)phenol?
The canonical SMILES for 2-chloro-5-(2,4-difluorophenyl)phenol is Oc1cc(-c2ccc(F)cc2F)ccc1Cl.
What is the InChIKey of 2-chloro-5-(2,4-difluorophenyl)phenol?
The InChIKey is JJFHMMLNGKBYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF2O/c13-10-4-1-7(5-12(10)16)9-3-2-8(14)6-11(9)15/h1-6,16H.
What are the key properties of 2-chloro-5-(2,4-difluorophenyl)phenol?
2-chloro-5-(2,4-difluorophenyl)phenol has a molecular weight of 240.64 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2,4-difluorophenyl)phenol is sourced from PubChem (CID 53221267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).