1-(4-tert-butylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol

C19H23FO — CID 105372779

IUPAC1-(4-tert-butylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol
SMILESCc1ccc(F)cc1CC(O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H23FO/c1-13-5-10-17(20)11-15(13)12-18(21)14-6-8-16(9-7-14)19(2,3)4/h5-11,18,21H,12H2,1-4H3
InChIKeySCMSAPTXUXLJNX-UHFFFAOYSA-N
MW286.39 g/mol
LogP4.71
Rot. Bonds3

About 1-(4-tert-butylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol

1-(4-tert-butylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol (PubChem CID 105372779) has the molecular formula C19H23FO and a molecular weight of 286.39 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol
PubChem CID105372779
Molecular FormulaC19H23FO
Molecular Weight286.39 g/mol
Exact Mass286.17
IUPAC Name1-(4-tert-butylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol
SMILESCc1ccc(F)cc1CC(O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H23FO/c1-13-5-10-17(20)11-15(13)12-18(21)14-6-8-16(9-7-14)19(2,3)4/h5-11,18,21H,12H2,1-4H3
InChIKeySCMSAPTXUXLJNX-UHFFFAOYSA-N
XLogP4.71
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 ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 105372798
1-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)ethanol
CID 63895221
1-(4-tert-butylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105376976
1-(3,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372805
1-(4-bromo-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372954
1-(3-bromo-5-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105373495
2-(4-tert-butylphenyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 65150242
1-(3-chloro-5-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105377706
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372772
1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372816
2-(4-fluoro-2-methylphenyl)-1-(4-iodophenyl)ethanol
CID 115838318
2-(2,5-dimethylphenyl)-1-(4-methylphenyl)ethanol
CID 61481687

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol?
The IUPAC name of 1-(4-tert-butylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol (CID 105372779) is 1-(4-tert-butylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol is Cc1ccc(F)cc1CC(O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol?
The InChIKey is SCMSAPTXUXLJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FO/c1-13-5-10-17(20)11-15(13)12-18(21)14-6-8-16(9-7-14)19(2,3)4/h5-11,18,21H,12H2,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol?
1-(4-tert-butylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol has a molecular weight of 286.39 g/mol, XLogP of 4.71, 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-(5-fluoro-2-methylphenyl)ethanol is sourced from PubChem (CID 105372779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).