2-[bis(4-fluorophenyl)-hydroxymethyl]phenol

C19H14F2O2 — CID 53231393

IUPAC2-[bis(4-fluorophenyl)-hydroxymethyl]phenol
SMILESOc1ccccc1C(O)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H14F2O2/c20-15-9-5-13(6-10-15)19(23,14-7-11-16(21)12-8-14)17-3-1-2-4-18(17)22/h1-12,22-23H
InChIKeyOSMBPCQWNIOEAL-UHFFFAOYSA-N
MW312.32 g/mol
LogP3.95
Rot. Bonds3

About 2-[bis(4-fluorophenyl)-hydroxymethyl]phenol

2-[bis(4-fluorophenyl)-hydroxymethyl]phenol (PubChem CID 53231393) has the molecular formula C19H14F2O2 and a molecular weight of 312.32 g/mol. Its IUPAC name is 2-[bis(4-fluorophenyl)-hydroxymethyl]phenol.

Molecular Properties

Compound Name2-[bis(4-fluorophenyl)-hydroxymethyl]phenol
PubChem CID53231393
Molecular FormulaC19H14F2O2
Molecular Weight312.32 g/mol
Exact Mass312.10
IUPAC Name2-[bis(4-fluorophenyl)-hydroxymethyl]phenol
SMILESOc1ccccc1C(O)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H14F2O2/c20-15-9-5-13(6-10-15)19(23,14-7-11-16(21)12-8-14)17-3-1-2-4-18(17)22/h1-12,22-23H
InChIKeyOSMBPCQWNIOEAL-UHFFFAOYSA-N
XLogP3.95
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-[1-(4-fluorophenyl)-1-hydroxybutyl]phenol
CID 155686228
1-(4-fluorophenyl)-1-(2-methoxyphenyl)ethanol
CID 60793238
1-(2-bromophenyl)-1-(4-fluorophenyl)ethanol
CID 60795081
4-fluoro-2-[(5-fluoro-2-hydroxyphenyl)-bis(4-fluorophenyl)methyl]phenol
CID 139945833
1-(2-fluorophenyl)-1-(4-fluorophenyl)prop-2-yn-1-ol
CID 102246639
(4-fluorophenyl)-(furan-2-yl)-phenylmethanol
CID 117061851
2-(trifluoromethyl)phenol
CID 162212145
2-(4-fluorophenyl)propan-2-ol
CID 637733
4-[hydroxy-(2-methoxyphenyl)-(4-methoxyphenyl)methyl]phenol
CID 156785971
diphenyl-(2,3,4-trifluorophenyl)methanol
CID 175484438
2-(1,3-dichloro-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)phenol
CID 154117039
(2-tert-butylphenyl)-diphenylmethanol
CID 139660969

Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-fluorophenyl)-hydroxymethyl]phenol?
The IUPAC name of 2-[bis(4-fluorophenyl)-hydroxymethyl]phenol (CID 53231393) is 2-[bis(4-fluorophenyl)-hydroxymethyl]phenol.
What is the SMILES notation for 2-[bis(4-fluorophenyl)-hydroxymethyl]phenol?
The canonical SMILES for 2-[bis(4-fluorophenyl)-hydroxymethyl]phenol is Oc1ccccc1C(O)(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 2-[bis(4-fluorophenyl)-hydroxymethyl]phenol?
The InChIKey is OSMBPCQWNIOEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2O2/c20-15-9-5-13(6-10-15)19(23,14-7-11-16(21)12-8-14)17-3-1-2-4-18(17)22/h1-12,22-23H.
What are the key properties of 2-[bis(4-fluorophenyl)-hydroxymethyl]phenol?
2-[bis(4-fluorophenyl)-hydroxymethyl]phenol has a molecular weight of 312.32 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-fluorophenyl)-hydroxymethyl]phenol is sourced from PubChem (CID 53231393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).