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

C32H22F4O2 — CID 70616566

IUPAC[2,3-bis(4-fluorophenyl)-4-(hydroxymethyl)phenyl]-bis(4-fluorophenyl)methanol
SMILESOCc1ccc(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)c(-c2ccc(F)cc2)c1-c1ccc(F)cc1
InChIInChI=1S/C32H22F4O2/c33-25-10-1-20(2-11-25)30-22(19-37)5-18-29(31(30)21-3-12-26(34)13-4-21)32(38,23-6-14-27(35)15-7-23)24-8-16-28(36)17-9-24/h1-18,37-38H,19H2
InChIKeyJFEHSZWBOMJHIL-UHFFFAOYSA-N
MW514.52 g/mol
LogP7.35
Rot. Bonds6

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

[2,3-bis(4-fluorophenyl)-4-(hydroxymethyl)phenyl]-bis(4-fluorophenyl)methanol (PubChem CID 70616566) has the molecular formula C32H22F4O2 and a molecular weight of 514.52 g/mol. Its IUPAC name is [2,3-bis(4-fluorophenyl)-4-(hydroxymethyl)phenyl]-bis(4-fluorophenyl)methanol.

Molecular Properties

Compound Name[2,3-bis(4-fluorophenyl)-4-(hydroxymethyl)phenyl]-bis(4-fluorophenyl)methanol
PubChem CID70616566
Molecular FormulaC32H22F4O2
Molecular Weight514.52 g/mol
Exact Mass514.16
IUPAC Name[2,3-bis(4-fluorophenyl)-4-(hydroxymethyl)phenyl]-bis(4-fluorophenyl)methanol
SMILESOCc1ccc(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)c(-c2ccc(F)cc2)c1-c1ccc(F)cc1
InChIInChI=1S/C32H22F4O2/c33-25-10-1-20(2-11-25)30-22(19-37)5-18-29(31(30)21-3-12-26(34)13-4-21)32(38,23-6-14-27(35)15-7-23)24-8-16-28(36)17-9-24/h1-18,37-38H,19H2
InChIKeyJFEHSZWBOMJHIL-UHFFFAOYSA-N
XLogP7.35
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.52
LogP ≤ 57.35
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

CID 104977
CID 104977
CID 25892
CID 25892
CID 11285
CID 11285
CID 5311277
CID 5311277
CID 30544
CID 30544
CID 97714
CID 97714
CID 119118
CID 119118
CID 146932
CID 146932
CID 9847095
CID 9847095
CID 11284
CID 11284
CID 59263691
CID 59263691
CID 85290
CID 85290

Frequently Asked Questions

What is the IUPAC name of [2,3-bis(4-fluorophenyl)-4-(hydroxymethyl)phenyl]-bis(4-fluorophenyl)methanol?
The IUPAC name of [2,3-bis(4-fluorophenyl)-4-(hydroxymethyl)phenyl]-bis(4-fluorophenyl)methanol (CID 70616566) is [2,3-bis(4-fluorophenyl)-4-(hydroxymethyl)phenyl]-bis(4-fluorophenyl)methanol.
What is the SMILES notation for [2,3-bis(4-fluorophenyl)-4-(hydroxymethyl)phenyl]-bis(4-fluorophenyl)methanol?
The canonical SMILES for [2,3-bis(4-fluorophenyl)-4-(hydroxymethyl)phenyl]-bis(4-fluorophenyl)methanol is OCc1ccc(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)c(-c2ccc(F)cc2)c1-c1ccc(F)cc1.
What is the InChIKey of [2,3-bis(4-fluorophenyl)-4-(hydroxymethyl)phenyl]-bis(4-fluorophenyl)methanol?
The InChIKey is JFEHSZWBOMJHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22F4O2/c33-25-10-1-20(2-11-25)30-22(19-37)5-18-29(31(30)21-3-12-26(34)13-4-21)32(38,23-6-14-27(35)15-7-23)24-8-16-28(36)17-9-24/h1-18,37-38H,19H2.
What are the key properties of [2,3-bis(4-fluorophenyl)-4-(hydroxymethyl)phenyl]-bis(4-fluorophenyl)methanol?
[2,3-bis(4-fluorophenyl)-4-(hydroxymethyl)phenyl]-bis(4-fluorophenyl)methanol has a molecular weight of 514.52 g/mol, XLogP of 7.35, 6 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]-bis(4-fluorophenyl)methanol is sourced from PubChem (CID 70616566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).