1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(3-phenylphenyl)methyl]pentan-2-ol

C26H26F4O2 — CID 58959980

IUPAC1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(3-phenylphenyl)methyl]pentan-2-ol
SMILESCOc1ccc(F)cc1C(C)(C)CC(O)(Cc1cccc(-c2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C26H26F4O2/c1-24(2,22-15-21(27)12-13-23(22)32-3)17-25(31,26(28,29)30)16-18-8-7-11-20(14-18)19-9-5-4-6-10-19/h4-15,31H,16-17H2,1-3H3
InChIKeyFQPOZOICDKUSGO-UHFFFAOYSA-N
MW446.48 g/mol
LogP6.71
Rot. Bonds7

About 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(3-phenylphenyl)methyl]pentan-2-ol

1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(3-phenylphenyl)methyl]pentan-2-ol (PubChem CID 58959980) has the molecular formula C26H26F4O2 and a molecular weight of 446.48 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(3-phenylphenyl)methyl]pentan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(3-phenylphenyl)methyl]pentan-2-ol
PubChem CID58959980
Molecular FormulaC26H26F4O2
Molecular Weight446.48 g/mol
Exact Mass446.19
IUPAC Name1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(3-phenylphenyl)methyl]pentan-2-ol
SMILESCOc1ccc(F)cc1C(C)(C)CC(O)(Cc1cccc(-c2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C26H26F4O2/c1-24(2,22-15-21(27)12-13-23(22)32-3)17-25(31,26(28,29)30)16-18-8-7-11-20(14-18)19-9-5-4-6-10-19/h4-15,31H,16-17H2,1-3H3
InChIKeyFQPOZOICDKUSGO-UHFFFAOYSA-N
XLogP6.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.48
LogP ≤ 56.71
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-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(3-phenylphenyl)methyl]pentan-2-ol?
The IUPAC name of 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(3-phenylphenyl)methyl]pentan-2-ol (CID 58959980) is 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(3-phenylphenyl)methyl]pentan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(3-phenylphenyl)methyl]pentan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(3-phenylphenyl)methyl]pentan-2-ol is COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cccc(-c2ccccc2)c1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(3-phenylphenyl)methyl]pentan-2-ol?
The InChIKey is FQPOZOICDKUSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F4O2/c1-24(2,22-15-21(27)12-13-23(22)32-3)17-25(31,26(28,29)30)16-18-8-7-11-20(14-18)19-9-5-4-6-10-19/h4-15,31H,16-17H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(3-phenylphenyl)methyl]pentan-2-ol?
1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(3-phenylphenyl)methyl]pentan-2-ol has a molecular weight of 446.48 g/mol, XLogP of 6.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(3-phenylphenyl)methyl]pentan-2-ol is sourced from PubChem (CID 58959980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).