3-chloro-5-(5-fluoro-2-methylphenyl)phenol

C13H10ClFO — CID 53221245

IUPAC3-chloro-5-(5-fluoro-2-methylphenyl)phenol
SMILESCc1ccc(F)cc1-c1cc(O)cc(Cl)c1
InChIInChI=1S/C13H10ClFO/c1-8-2-3-11(15)7-13(8)9-4-10(14)6-12(16)5-9/h2-7,16H,1H3
InChIKeyRQMBCBXJFITGFU-UHFFFAOYSA-N
MW236.67 g/mol
LogP4.16
Rot. Bonds1

About 3-chloro-5-(5-fluoro-2-methylphenyl)phenol

3-chloro-5-(5-fluoro-2-methylphenyl)phenol (PubChem CID 53221245) has the molecular formula C13H10ClFO and a molecular weight of 236.67 g/mol. Its IUPAC name is 3-chloro-5-(5-fluoro-2-methylphenyl)phenol.

Molecular Properties

Compound Name3-chloro-5-(5-fluoro-2-methylphenyl)phenol
PubChem CID53221245
Molecular FormulaC13H10ClFO
Molecular Weight236.67 g/mol
Exact Mass236.04
IUPAC Name3-chloro-5-(5-fluoro-2-methylphenyl)phenol
SMILESCc1ccc(F)cc1-c1cc(O)cc(Cl)c1
InChIInChI=1S/C13H10ClFO/c1-8-2-3-11(15)7-13(8)9-4-10(14)6-12(16)5-9/h2-7,16H,1H3
InChIKeyRQMBCBXJFITGFU-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 3-chloro-5-(5-fluoro-2-methylphenyl)phenol?
The IUPAC name of 3-chloro-5-(5-fluoro-2-methylphenyl)phenol (CID 53221245) is 3-chloro-5-(5-fluoro-2-methylphenyl)phenol.
What is the SMILES notation for 3-chloro-5-(5-fluoro-2-methylphenyl)phenol?
The canonical SMILES for 3-chloro-5-(5-fluoro-2-methylphenyl)phenol is Cc1ccc(F)cc1-c1cc(O)cc(Cl)c1.
What is the InChIKey of 3-chloro-5-(5-fluoro-2-methylphenyl)phenol?
The InChIKey is RQMBCBXJFITGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFO/c1-8-2-3-11(15)7-13(8)9-4-10(14)6-12(16)5-9/h2-7,16H,1H3.
What are the key properties of 3-chloro-5-(5-fluoro-2-methylphenyl)phenol?
3-chloro-5-(5-fluoro-2-methylphenyl)phenol 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 3-chloro-5-(5-fluoro-2-methylphenyl)phenol is sourced from PubChem (CID 53221245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).