1,1,1-trifluoro-2-(4-methoxyphenyl)-4,4-diphenylbutan-2-ol

C23H21F3O2 — CID 168720238

IUPAC1,1,1-trifluoro-2-(4-methoxyphenyl)-4,4-diphenylbutan-2-ol
SMILESCOc1ccc(C(O)(CC(c2ccccc2)c2ccccc2)C(F)(F)F)cc1
InChIInChI=1S/C23H21F3O2/c1-28-20-14-12-19(13-15-20)22(27,23(24,25)26)16-21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,21,27H,16H2,1H3
InChIKeyUOPKHPVODCCUKD-UHFFFAOYSA-N
MW386.41 g/mol
LogP5.67
Rot. Bonds6

About 1,1,1-trifluoro-2-(4-methoxyphenyl)-4,4-diphenylbutan-2-ol

1,1,1-trifluoro-2-(4-methoxyphenyl)-4,4-diphenylbutan-2-ol (PubChem CID 168720238) has the molecular formula C23H21F3O2 and a molecular weight of 386.41 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(4-methoxyphenyl)-4,4-diphenylbutan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(4-methoxyphenyl)-4,4-diphenylbutan-2-ol
PubChem CID168720238
Molecular FormulaC23H21F3O2
Molecular Weight386.41 g/mol
Exact Mass386.15
IUPAC Name1,1,1-trifluoro-2-(4-methoxyphenyl)-4,4-diphenylbutan-2-ol
SMILESCOc1ccc(C(O)(CC(c2ccccc2)c2ccccc2)C(F)(F)F)cc1
InChIInChI=1S/C23H21F3O2/c1-28-20-14-12-19(13-15-20)22(27,23(24,25)26)16-21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,21,27H,16H2,1H3
InChIKeyUOPKHPVODCCUKD-UHFFFAOYSA-N
XLogP5.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.41
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(4-methoxyphenyl)-4,4-diphenylbutan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-(4-methoxyphenyl)-4,4-diphenylbutan-2-ol (CID 168720238) is 1,1,1-trifluoro-2-(4-methoxyphenyl)-4,4-diphenylbutan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-(4-methoxyphenyl)-4,4-diphenylbutan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-(4-methoxyphenyl)-4,4-diphenylbutan-2-ol is COc1ccc(C(O)(CC(c2ccccc2)c2ccccc2)C(F)(F)F)cc1.
What is the InChIKey of 1,1,1-trifluoro-2-(4-methoxyphenyl)-4,4-diphenylbutan-2-ol?
The InChIKey is UOPKHPVODCCUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3O2/c1-28-20-14-12-19(13-15-20)22(27,23(24,25)26)16-21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,21,27H,16H2,1H3.
What are the key properties of 1,1,1-trifluoro-2-(4-methoxyphenyl)-4,4-diphenylbutan-2-ol?
1,1,1-trifluoro-2-(4-methoxyphenyl)-4,4-diphenylbutan-2-ol has a molecular weight of 386.41 g/mol, XLogP of 5.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(4-methoxyphenyl)-4,4-diphenylbutan-2-ol is sourced from PubChem (CID 168720238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).