[3-(3,4,5-trifluorophenyl)phenyl]methanol

C13H9F3O — CID 172650671

IUPAC[3-(3,4,5-trifluorophenyl)phenyl]methanol
SMILESOCc1cccc(-c2cc(F)c(F)c(F)c2)c1
InChIInChI=1S/C13H9F3O/c14-11-5-10(6-12(15)13(11)16)9-3-1-2-8(4-9)7-17/h1-6,17H,7H2
InChIKeyAFUPBOXEXBDNMY-UHFFFAOYSA-N
MW238.21 g/mol
LogP3.26
Rot. Bonds2

About [3-(3,4,5-trifluorophenyl)phenyl]methanol

[3-(3,4,5-trifluorophenyl)phenyl]methanol (PubChem CID 172650671) has the molecular formula C13H9F3O and a molecular weight of 238.21 g/mol. Its IUPAC name is [3-(3,4,5-trifluorophenyl)phenyl]methanol.

Molecular Properties

Compound Name[3-(3,4,5-trifluorophenyl)phenyl]methanol
PubChem CID172650671
Molecular FormulaC13H9F3O
Molecular Weight238.21 g/mol
Exact Mass238.06
IUPAC Name[3-(3,4,5-trifluorophenyl)phenyl]methanol
SMILESOCc1cccc(-c2cc(F)c(F)c(F)c2)c1
InChIInChI=1S/C13H9F3O/c14-11-5-10(6-12(15)13(11)16)9-3-1-2-8(4-9)7-17/h1-6,17H,7H2
InChIKeyAFUPBOXEXBDNMY-UHFFFAOYSA-N
XLogP3.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(3,4,5-trifluorophenyl)phenyl]methanol?
The IUPAC name of [3-(3,4,5-trifluorophenyl)phenyl]methanol (CID 172650671) is [3-(3,4,5-trifluorophenyl)phenyl]methanol.
What is the SMILES notation for [3-(3,4,5-trifluorophenyl)phenyl]methanol?
The canonical SMILES for [3-(3,4,5-trifluorophenyl)phenyl]methanol is OCc1cccc(-c2cc(F)c(F)c(F)c2)c1.
What is the InChIKey of [3-(3,4,5-trifluorophenyl)phenyl]methanol?
The InChIKey is AFUPBOXEXBDNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3O/c14-11-5-10(6-12(15)13(11)16)9-3-1-2-8(4-9)7-17/h1-6,17H,7H2.
What are the key properties of [3-(3,4,5-trifluorophenyl)phenyl]methanol?
[3-(3,4,5-trifluorophenyl)phenyl]methanol has a molecular weight of 238.21 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4,5-trifluorophenyl)phenyl]methanol is sourced from PubChem (CID 172650671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).