[2-(2,5-dichlorophenyl)-3-fluorophenyl]methanol

C13H9Cl2FO — CID 118841232

IUPAC[2-(2,5-dichlorophenyl)-3-fluorophenyl]methanol
SMILESOCc1cccc(F)c1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H9Cl2FO/c14-9-4-5-11(15)10(6-9)13-8(7-17)2-1-3-12(13)16/h1-6,17H,7H2
InChIKeyAZOYCSSGTZLMLB-UHFFFAOYSA-N
MW271.12 g/mol
LogP4.29
Rot. Bonds2

About [2-(2,5-dichlorophenyl)-3-fluorophenyl]methanol

[2-(2,5-dichlorophenyl)-3-fluorophenyl]methanol (PubChem CID 118841232) has the molecular formula C13H9Cl2FO and a molecular weight of 271.12 g/mol. Its IUPAC name is [2-(2,5-dichlorophenyl)-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[2-(2,5-dichlorophenyl)-3-fluorophenyl]methanol
PubChem CID118841232
Molecular FormulaC13H9Cl2FO
Molecular Weight271.12 g/mol
Exact Mass270.00
IUPAC Name[2-(2,5-dichlorophenyl)-3-fluorophenyl]methanol
SMILESOCc1cccc(F)c1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H9Cl2FO/c14-9-4-5-11(15)10(6-9)13-8(7-17)2-1-3-12(13)16/h1-6,17H,7H2
InChIKeyAZOYCSSGTZLMLB-UHFFFAOYSA-N
XLogP4.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.12
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dichlorophenyl)-3-fluorophenyl]methanol?
The IUPAC name of [2-(2,5-dichlorophenyl)-3-fluorophenyl]methanol (CID 118841232) is [2-(2,5-dichlorophenyl)-3-fluorophenyl]methanol.
What is the SMILES notation for [2-(2,5-dichlorophenyl)-3-fluorophenyl]methanol?
The canonical SMILES for [2-(2,5-dichlorophenyl)-3-fluorophenyl]methanol is OCc1cccc(F)c1-c1cc(Cl)ccc1Cl.
What is the InChIKey of [2-(2,5-dichlorophenyl)-3-fluorophenyl]methanol?
The InChIKey is AZOYCSSGTZLMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FO/c14-9-4-5-11(15)10(6-9)13-8(7-17)2-1-3-12(13)16/h1-6,17H,7H2.
What are the key properties of [2-(2,5-dichlorophenyl)-3-fluorophenyl]methanol?
[2-(2,5-dichlorophenyl)-3-fluorophenyl]methanol has a molecular weight of 271.12 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dichlorophenyl)-3-fluorophenyl]methanol is sourced from PubChem (CID 118841232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).