[2,3-bis(4-fluorophenyl)-4-(hydroxymethyl)phenyl]methanol

C20H16F2O2 — CID 21217012

IUPAC[2,3-bis(4-fluorophenyl)-4-(hydroxymethyl)phenyl]methanol
SMILESOCc1ccc(CO)c(-c2ccc(F)cc2)c1-c1ccc(F)cc1
InChIInChI=1S/C20H16F2O2/c21-17-7-3-13(4-8-17)19-15(11-23)1-2-16(12-24)20(19)14-5-9-18(22)10-6-14/h1-10,23-24H,11-12H2
InChIKeyDEQBJAANPWOALL-UHFFFAOYSA-N
MW326.34 g/mol
LogP4.28
Rot. Bonds4

About [2,3-bis(4-fluorophenyl)-4-(hydroxymethyl)phenyl]methanol

[2,3-bis(4-fluorophenyl)-4-(hydroxymethyl)phenyl]methanol (PubChem CID 21217012) has the molecular formula C20H16F2O2 and a molecular weight of 326.34 g/mol. Its IUPAC name is [2,3-bis(4-fluorophenyl)-4-(hydroxymethyl)phenyl]methanol.

Molecular Properties

Compound Name[2,3-bis(4-fluorophenyl)-4-(hydroxymethyl)phenyl]methanol
PubChem CID21217012
Molecular FormulaC20H16F2O2
Molecular Weight326.34 g/mol
Exact Mass326.11
IUPAC Name[2,3-bis(4-fluorophenyl)-4-(hydroxymethyl)phenyl]methanol
SMILESOCc1ccc(CO)c(-c2ccc(F)cc2)c1-c1ccc(F)cc1
InChIInChI=1S/C20H16F2O2/c21-17-7-3-13(4-8-17)19-15(11-23)1-2-16(12-24)20(19)14-5-9-18(22)10-6-14/h1-10,23-24H,11-12H2
InChIKeyDEQBJAANPWOALL-UHFFFAOYSA-N
XLogP4.28
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2,3-bis(4-fluorophenyl)-4-(hydroxymethyl)phenyl]methanol?
The IUPAC name of [2,3-bis(4-fluorophenyl)-4-(hydroxymethyl)phenyl]methanol (CID 21217012) is [2,3-bis(4-fluorophenyl)-4-(hydroxymethyl)phenyl]methanol.
What is the SMILES notation for [2,3-bis(4-fluorophenyl)-4-(hydroxymethyl)phenyl]methanol?
The canonical SMILES for [2,3-bis(4-fluorophenyl)-4-(hydroxymethyl)phenyl]methanol is OCc1ccc(CO)c(-c2ccc(F)cc2)c1-c1ccc(F)cc1.
What is the InChIKey of [2,3-bis(4-fluorophenyl)-4-(hydroxymethyl)phenyl]methanol?
The InChIKey is DEQBJAANPWOALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2O2/c21-17-7-3-13(4-8-17)19-15(11-23)1-2-16(12-24)20(19)14-5-9-18(22)10-6-14/h1-10,23-24H,11-12H2.
What are the key properties of [2,3-bis(4-fluorophenyl)-4-(hydroxymethyl)phenyl]methanol?
[2,3-bis(4-fluorophenyl)-4-(hydroxymethyl)phenyl]methanol has a molecular weight of 326.34 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-bis(4-fluorophenyl)-4-(hydroxymethyl)phenyl]methanol is sourced from PubChem (CID 21217012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).