4-chloro-5-fluoro-2-(3-phenyltriazol-4-yl)phenol

C14H9ClFN3O — CID 136730890

IUPAC4-chloro-5-fluoro-2-(3-phenyltriazol-4-yl)phenol
SMILESOc1cc(F)c(Cl)cc1-c1cnnn1-c1ccccc1
InChIInChI=1S/C14H9ClFN3O/c15-11-6-10(14(20)7-12(11)16)13-8-17-18-19(13)9-4-2-1-3-5-9/h1-8,20H
InChIKeyAQGJMKNNFCAIFR-UHFFFAOYSA-N
MW289.70 g/mol
LogP3.43
Rot. Bonds2

About 4-chloro-5-fluoro-2-(3-phenyltriazol-4-yl)phenol

4-chloro-5-fluoro-2-(3-phenyltriazol-4-yl)phenol (PubChem CID 136730890) has the molecular formula C14H9ClFN3O and a molecular weight of 289.70 g/mol. Its IUPAC name is 4-chloro-5-fluoro-2-(3-phenyltriazol-4-yl)phenol.

Molecular Properties

Compound Name4-chloro-5-fluoro-2-(3-phenyltriazol-4-yl)phenol
PubChem CID136730890
Molecular FormulaC14H9ClFN3O
Molecular Weight289.70 g/mol
Exact Mass289.04
IUPAC Name4-chloro-5-fluoro-2-(3-phenyltriazol-4-yl)phenol
SMILESOc1cc(F)c(Cl)cc1-c1cnnn1-c1ccccc1
InChIInChI=1S/C14H9ClFN3O/c15-11-6-10(14(20)7-12(11)16)13-8-17-18-19(13)9-4-2-1-3-5-9/h1-8,20H
InChIKeyAQGJMKNNFCAIFR-UHFFFAOYSA-N
XLogP3.43
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.70
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-2-(3-phenyltriazol-4-yl)phenol?
The IUPAC name of 4-chloro-5-fluoro-2-(3-phenyltriazol-4-yl)phenol (CID 136730890) is 4-chloro-5-fluoro-2-(3-phenyltriazol-4-yl)phenol.
What is the SMILES notation for 4-chloro-5-fluoro-2-(3-phenyltriazol-4-yl)phenol?
The canonical SMILES for 4-chloro-5-fluoro-2-(3-phenyltriazol-4-yl)phenol is Oc1cc(F)c(Cl)cc1-c1cnnn1-c1ccccc1.
What is the InChIKey of 4-chloro-5-fluoro-2-(3-phenyltriazol-4-yl)phenol?
The InChIKey is AQGJMKNNFCAIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3O/c15-11-6-10(14(20)7-12(11)16)13-8-17-18-19(13)9-4-2-1-3-5-9/h1-8,20H.
What are the key properties of 4-chloro-5-fluoro-2-(3-phenyltriazol-4-yl)phenol?
4-chloro-5-fluoro-2-(3-phenyltriazol-4-yl)phenol has a molecular weight of 289.70 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-2-(3-phenyltriazol-4-yl)phenol is sourced from PubChem (CID 136730890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).