[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-4-(trifluoromethyl)phenyl]methanol

C18H18F4O2 — CID 59287355

IUPAC[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-4-(trifluoromethyl)phenyl]methanol
SMILESCOc1cc(F)c(C(C)C)cc1-c1cc(C(F)(F)F)ccc1CO
InChIInChI=1S/C18H18F4O2/c1-10(2)13-7-15(17(24-3)8-16(13)19)14-6-12(18(20,21)22)5-4-11(14)9-23/h4-8,10,23H,9H2,1-3H3
InChIKeyHBQBFBCREPWTCS-UHFFFAOYSA-N
MW342.33 g/mol
LogP5.14
Rot. Bonds4

About [2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-4-(trifluoromethyl)phenyl]methanol

[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-4-(trifluoromethyl)phenyl]methanol (PubChem CID 59287355) has the molecular formula C18H18F4O2 and a molecular weight of 342.33 g/mol. Its IUPAC name is [2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-4-(trifluoromethyl)phenyl]methanol
PubChem CID59287355
Molecular FormulaC18H18F4O2
Molecular Weight342.33 g/mol
Exact Mass342.12
IUPAC Name[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-4-(trifluoromethyl)phenyl]methanol
SMILESCOc1cc(F)c(C(C)C)cc1-c1cc(C(F)(F)F)ccc1CO
InChIInChI=1S/C18H18F4O2/c1-10(2)13-7-15(17(24-3)8-16(13)19)14-6-12(18(20,21)22)5-4-11(14)9-23/h4-8,10,23H,9H2,1-3H3
InChIKeyHBQBFBCREPWTCS-UHFFFAOYSA-N
XLogP5.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.33
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methoxyhonokiol
CID 155160
Magreth-1
CID 45267389
2-[(E)-5-(4-methoxy-2,3,6-trimethylphenyl)-3-methylpent-2-enyl]benzene-1,4-diol
CID 5467409
(4-Methoxynaphthalen-1-yl)methanol
CID 900419
1-(4-(1,1-Dimethylethyl)phenyl)-3-(4-methoxyphenyl)-1,3-propanediol
CID 12091724
1,1-Di-(4-methoxyphenyl)-1-[4-(1H,1H,2H,2H-perfluorodecyl)phenyl]methanol
CID 16218252
Magreth-3a
CID 44241602
(1R)-4-(3,5-difluorophenoxy)-7-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
CID 122506276
1,1,1-Trifluoro-4-(5-fluoro-2-methoxy-phenyl)-4-methyl-2-(2-methyl-benzyl)-pentan-2-ol
CID 10126475
1,1,1-Trifluoro-4-(5-fluoro-2-methoxy-phenyl)-4-methyl-2-(4-methyl-benzyl)-pentan-2-ol
CID 10126476
1,1,1-Trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-((2-methylnaphthalen-1-yl)methyl)pentan-2-ol
CID 10127269
2-(3,5-Dimethylbenzyl)-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol
CID 10150743

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-4-(trifluoromethyl)phenyl]methanol (CID 59287355) is [2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-4-(trifluoromethyl)phenyl]methanol is COc1cc(F)c(C(C)C)cc1-c1cc(C(F)(F)F)ccc1CO.
What is the InChIKey of [2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-4-(trifluoromethyl)phenyl]methanol?
The InChIKey is HBQBFBCREPWTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F4O2/c1-10(2)13-7-15(17(24-3)8-16(13)19)14-6-12(18(20,21)22)5-4-11(14)9-23/h4-8,10,23H,9H2,1-3H3.
What are the key properties of [2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-4-(trifluoromethyl)phenyl]methanol?
[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-4-(trifluoromethyl)phenyl]methanol has a molecular weight of 342.33 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 59287355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).