[3,5-di(propan-2-yl)phenyl]-[4-(trifluoromethyl)phenyl]methanol

C20H23F3O — CID 123699279

IUPAC[3,5-di(propan-2-yl)phenyl]-[4-(trifluoromethyl)phenyl]methanol
SMILESCC(C)c1cc(C(C)C)cc(C(O)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C20H23F3O/c1-12(2)15-9-16(13(3)4)11-17(10-15)19(24)14-5-7-18(8-6-14)20(21,22)23/h5-13,19,24H,1-4H3
InChIKeyDIEKPTNAKHIAAZ-UHFFFAOYSA-N
MW336.40 g/mol
LogP6.03
Rot. Bonds4

About [3,5-di(propan-2-yl)phenyl]-[4-(trifluoromethyl)phenyl]methanol

[3,5-di(propan-2-yl)phenyl]-[4-(trifluoromethyl)phenyl]methanol (PubChem CID 123699279) has the molecular formula C20H23F3O and a molecular weight of 336.40 g/mol. Its IUPAC name is [3,5-di(propan-2-yl)phenyl]-[4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[3,5-di(propan-2-yl)phenyl]-[4-(trifluoromethyl)phenyl]methanol
PubChem CID123699279
Molecular FormulaC20H23F3O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name[3,5-di(propan-2-yl)phenyl]-[4-(trifluoromethyl)phenyl]methanol
SMILESCC(C)c1cc(C(C)C)cc(C(O)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C20H23F3O/c1-12(2)15-9-16(13(3)4)11-17(10-15)19(24)14-5-7-18(8-6-14)20(21,22)23/h5-13,19,24H,1-4H3
InChIKeyDIEKPTNAKHIAAZ-UHFFFAOYSA-N
XLogP6.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.40
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 822066
(4-bromophenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 61100365
[3,5-bis(trifluoromethyl)phenyl]-(4-methoxyphenyl)methanol
CID 3625167
(1S,2R)-1-amino-1-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 129373286
(4-fluoro-3,5-dimethylphenyl)-(4-propan-2-ylphenyl)methanol
CID 65297282
dichloromethane;1-[4-[hydroxy-[4-(trifluoromethyl)phenyl]methyl]phenyl]ethanone
CID 90933922
1-propan-2-yl-3-(trifluoromethyl)-5-[(2S)-2-[4-(trifluoromethyl)phenyl]propyl]benzene
CID 130220413
1,3-dihydro-2-benzofuran-5-yl-[4-(trifluoromethyl)phenyl]methanol
CID 63019025
(1R,2S)-1-amino-1-[4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171160389
[4-[2-methyl-4-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanol
CID 123616752
1-[(2R)-3-methylbutan-2-yl]-4-(trifluoromethyl)benzene
CID 70880900
(1R)-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 10192650

Frequently Asked Questions

What is the IUPAC name of [3,5-di(propan-2-yl)phenyl]-[4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [3,5-di(propan-2-yl)phenyl]-[4-(trifluoromethyl)phenyl]methanol (CID 123699279) is [3,5-di(propan-2-yl)phenyl]-[4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [3,5-di(propan-2-yl)phenyl]-[4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [3,5-di(propan-2-yl)phenyl]-[4-(trifluoromethyl)phenyl]methanol is CC(C)c1cc(C(C)C)cc(C(O)c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of [3,5-di(propan-2-yl)phenyl]-[4-(trifluoromethyl)phenyl]methanol?
The InChIKey is DIEKPTNAKHIAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3O/c1-12(2)15-9-16(13(3)4)11-17(10-15)19(24)14-5-7-18(8-6-14)20(21,22)23/h5-13,19,24H,1-4H3.
What are the key properties of [3,5-di(propan-2-yl)phenyl]-[4-(trifluoromethyl)phenyl]methanol?
[3,5-di(propan-2-yl)phenyl]-[4-(trifluoromethyl)phenyl]methanol has a molecular weight of 336.40 g/mol, XLogP of 6.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-di(propan-2-yl)phenyl]-[4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 123699279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).