1-(4-tert-butylphenyl)-2-(4-fluorophenyl)propan-2-ol

C19H23FO — CID 65144980

IUPAC1-(4-tert-butylphenyl)-2-(4-fluorophenyl)propan-2-ol
SMILESCC(C)(C)c1ccc(CC(C)(O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H23FO/c1-18(2,3)15-7-5-14(6-8-15)13-19(4,21)16-9-11-17(20)12-10-16/h5-12,21H,13H2,1-4H3
InChIKeyYHFCAQQOKKCGGJ-UHFFFAOYSA-N
MW286.39 g/mol
LogP4.57
Rot. Bonds3

About 1-(4-tert-butylphenyl)-2-(4-fluorophenyl)propan-2-ol

1-(4-tert-butylphenyl)-2-(4-fluorophenyl)propan-2-ol (PubChem CID 65144980) has the molecular formula C19H23FO and a molecular weight of 286.39 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-(4-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-(4-fluorophenyl)propan-2-ol
PubChem CID65144980
Molecular FormulaC19H23FO
Molecular Weight286.39 g/mol
Exact Mass286.17
IUPAC Name1-(4-tert-butylphenyl)-2-(4-fluorophenyl)propan-2-ol
SMILESCC(C)(C)c1ccc(CC(C)(O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H23FO/c1-18(2,3)15-7-5-14(6-8-15)13-19(4,21)16-9-11-17(20)12-10-16/h5-12,21H,13H2,1-4H3
InChIKeyYHFCAQQOKKCGGJ-UHFFFAOYSA-N
XLogP4.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluorophenyl)-2-phenylpropan-2-ol
CID 53329553
2-(3-fluoro-5-methylphenyl)-1-(4-fluorophenyl)propan-2-ol
CID 114832963
2-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)propan-2-ol
CID 114833150
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-fluorophenyl)propan-2-ol
CID 114832961
1-(4-tert-butylphenyl)propane-2,2-diol
CID 175500089
1-(4-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 58481762
(2S)-2-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 146163800
2,2-bis[(4-tert-butylphenyl)methyl]propane-1,3-diol
CID 11057694
1-(4-tert-butylphenyl)-2-pyridin-3-ylpropan-2-ol
CID 13120935
1-(4-fluorophenyl)-2-thiophen-2-ylpropan-2-ol
CID 63220221
1-(3,5-difluorophenyl)-2-(4-methylphenyl)propan-2-ol
CID 105402436
3-[(4-fluorophenyl)methyl]pentan-3-ol
CID 60797567

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-(4-fluorophenyl)propan-2-ol?
The IUPAC name of 1-(4-tert-butylphenyl)-2-(4-fluorophenyl)propan-2-ol (CID 65144980) is 1-(4-tert-butylphenyl)-2-(4-fluorophenyl)propan-2-ol.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-(4-fluorophenyl)propan-2-ol?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-(4-fluorophenyl)propan-2-ol is CC(C)(C)c1ccc(CC(C)(O)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-(4-fluorophenyl)propan-2-ol?
The InChIKey is YHFCAQQOKKCGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FO/c1-18(2,3)15-7-5-14(6-8-15)13-19(4,21)16-9-11-17(20)12-10-16/h5-12,21H,13H2,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-(4-fluorophenyl)propan-2-ol?
1-(4-tert-butylphenyl)-2-(4-fluorophenyl)propan-2-ol has a molecular weight of 286.39 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-(4-fluorophenyl)propan-2-ol is sourced from PubChem (CID 65144980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).