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

C21H24F4O2 — CID 10309447

IUPAC1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(3-methylphenyl)methyl]pentan-2-ol
SMILESCOc1ccc(F)cc1C(C)(C)CC(O)(Cc1cccc(C)c1)C(F)(F)F
InChIInChI=1S/C21H24F4O2/c1-14-6-5-7-15(10-14)12-20(26,21(23,24)25)13-19(2,3)17-11-16(22)8-9-18(17)27-4/h5-11,26H,12-13H2,1-4H3
InChIKeyZVKVUVICAMRYKP-UHFFFAOYSA-N
MW384.41 g/mol
LogP5.35
Rot. Bonds6

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

1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(3-methylphenyl)methyl]pentan-2-ol (PubChem CID 10309447) has the molecular formula C21H24F4O2 and a molecular weight of 384.41 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(3-methylphenyl)methyl]pentan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(3-methylphenyl)methyl]pentan-2-ol
PubChem CID10309447
Molecular FormulaC21H24F4O2
Molecular Weight384.41 g/mol
Exact Mass384.17
IUPAC Name1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(3-methylphenyl)methyl]pentan-2-ol
SMILESCOc1ccc(F)cc1C(C)(C)CC(O)(Cc1cccc(C)c1)C(F)(F)F
InChIInChI=1S/C21H24F4O2/c1-14-6-5-7-15(10-14)12-20(26,21(23,24)25)13-19(2,3)17-11-16(22)8-9-18(17)27-4/h5-11,26H,12-13H2,1-4H3
InChIKeyZVKVUVICAMRYKP-UHFFFAOYSA-N
XLogP5.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.41
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methoxyhonokiol
CID 155160
2,4-Bis(1,1-dimethylethyl)-6-((4-methoxyphenyl)methyl)phenol
CID 100577
3,3'-Bis(1,1-dimethylethyl)-5,5'-dimethoxy(1,1'-biphenyl)-2,2'-diol
CID 119234
Magreth-1
CID 45267389
2,4-Di-tert-butyl-6-(1-(4-methoxyphenyl)ethyl)phenol, 4b
CID 100046
1,1-Di-(4-methoxyphenyl)-1-[4-(1H,1H,2H,2H-perfluorodecyl)phenyl]methanol
CID 16218252
Magreth-3a
CID 44241602
4-(1,1-Dimethyl-heptyl)-3''-methoxy-biphenyl-2-ol
CID 44431961
Di-O-methylhonokiol
CID 325144
2,4''-Dimethoxy-5,3''-dipropyl-biphenyl
CID 45267390
Bis(2-methoxyphenyl)(phenyl)methanol
CID 236369
1,1,1-Trifluoro-4-(5-fluoro-2-methoxy-phenyl)-4-methyl-2-(2-methyl-benzyl)-pentan-2-ol
CID 10126475

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(3-methylphenyl)methyl]pentan-2-ol?
The IUPAC name of 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(3-methylphenyl)methyl]pentan-2-ol (CID 10309447) is 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(3-methylphenyl)methyl]pentan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(3-methylphenyl)methyl]pentan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(3-methylphenyl)methyl]pentan-2-ol is COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cccc(C)c1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(3-methylphenyl)methyl]pentan-2-ol?
The InChIKey is ZVKVUVICAMRYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F4O2/c1-14-6-5-7-15(10-14)12-20(26,21(23,24)25)13-19(2,3)17-11-16(22)8-9-18(17)27-4/h5-11,26H,12-13H2,1-4H3.
What are the key properties of 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(3-methylphenyl)methyl]pentan-2-ol?
1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(3-methylphenyl)methyl]pentan-2-ol has a molecular weight of 384.41 g/mol, XLogP of 5.35, 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-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(3-methylphenyl)methyl]pentan-2-ol is sourced from PubChem (CID 10309447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).