4-(3-chloro-4-methylphenyl)-2-fluorophenol

C13H10ClFO — CID 53219474

IUPAC4-(3-chloro-4-methylphenyl)-2-fluorophenol
SMILESCc1ccc(-c2ccc(O)c(F)c2)cc1Cl
InChIInChI=1S/C13H10ClFO/c1-8-2-3-9(6-11(8)14)10-4-5-13(16)12(15)7-10/h2-7,16H,1H3
InChIKeyFXGJGOTYNMGIJY-UHFFFAOYSA-N
MW236.67 g/mol
LogP4.16
Rot. Bonds1

About 4-(3-chloro-4-methylphenyl)-2-fluorophenol

4-(3-chloro-4-methylphenyl)-2-fluorophenol (PubChem CID 53219474) has the molecular formula C13H10ClFO and a molecular weight of 236.67 g/mol. Its IUPAC name is 4-(3-chloro-4-methylphenyl)-2-fluorophenol.

Molecular Properties

Compound Name4-(3-chloro-4-methylphenyl)-2-fluorophenol
PubChem CID53219474
Molecular FormulaC13H10ClFO
Molecular Weight236.67 g/mol
Exact Mass236.04
IUPAC Name4-(3-chloro-4-methylphenyl)-2-fluorophenol
SMILESCc1ccc(-c2ccc(O)c(F)c2)cc1Cl
InChIInChI=1S/C13H10ClFO/c1-8-2-3-9(6-11(8)14)10-4-5-13(16)12(15)7-10/h2-7,16H,1H3
InChIKeyFXGJGOTYNMGIJY-UHFFFAOYSA-N
XLogP4.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.67
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methylphenyl)-2-fluorophenol?
The IUPAC name of 4-(3-chloro-4-methylphenyl)-2-fluorophenol (CID 53219474) is 4-(3-chloro-4-methylphenyl)-2-fluorophenol.
What is the SMILES notation for 4-(3-chloro-4-methylphenyl)-2-fluorophenol?
The canonical SMILES for 4-(3-chloro-4-methylphenyl)-2-fluorophenol is Cc1ccc(-c2ccc(O)c(F)c2)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-methylphenyl)-2-fluorophenol?
The InChIKey is FXGJGOTYNMGIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFO/c1-8-2-3-9(6-11(8)14)10-4-5-13(16)12(15)7-10/h2-7,16H,1H3.
What are the key properties of 4-(3-chloro-4-methylphenyl)-2-fluorophenol?
4-(3-chloro-4-methylphenyl)-2-fluorophenol has a molecular weight of 236.67 g/mol, XLogP of 4.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methylphenyl)-2-fluorophenol is sourced from PubChem (CID 53219474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).