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

C19H23FO — CID 65150242

IUPAC2-(4-tert-butylphenyl)-1-(4-fluoro-2-methylphenyl)ethanol
SMILESCc1cc(F)ccc1C(O)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H23FO/c1-13-11-16(20)9-10-17(13)18(21)12-14-5-7-15(8-6-14)19(2,3)4/h5-11,18,21H,12H2,1-4H3
InChIKeyJNJAKAJLWKIKLA-UHFFFAOYSA-N
MW286.39 g/mol
LogP4.71
Rot. Bonds3

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

2-(4-tert-butylphenyl)-1-(4-fluoro-2-methylphenyl)ethanol (PubChem CID 65150242) has the molecular formula C19H23FO and a molecular weight of 286.39 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-1-(4-fluoro-2-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-1-(4-fluoro-2-methylphenyl)ethanol
PubChem CID65150242
Molecular FormulaC19H23FO
Molecular Weight286.39 g/mol
Exact Mass286.17
IUPAC Name2-(4-tert-butylphenyl)-1-(4-fluoro-2-methylphenyl)ethanol
SMILESCc1cc(F)ccc1C(O)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H23FO/c1-13-11-16(20)9-10-17(13)18(21)12-14-5-7-15(8-6-14)19(2,3)4/h5-11,18,21H,12H2,1-4H3
InChIKeyJNJAKAJLWKIKLA-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-(4-tert-butylphenyl)-1-(2-chloro-4-fluorophenyl)ethanol
CID 63411155
1-(2-bromo-4-fluorophenyl)-2-(4-tert-butylphenyl)ethanol
CID 115786608
1-(4-fluoro-2-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanol
CID 65150144
2-(4-chloro-3-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 107883556
(1S)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 79002158
2-(3-bromo-5-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 79702447
1-(4-tert-butylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372779
1-(4-fluoro-2-methylphenyl)-2-(3-methoxyphenyl)ethanol
CID 55115802
2-(5-bromo-3-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 113454694
1-(4-fluoro-2-methylphenyl)-2-naphthalen-1-ylethanol
CID 65149639
3-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)propan-1-amine
CID 83975162
bis(4-fluoro-2-methylphenyl)methanol
CID 14371387

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-1-(4-fluoro-2-methylphenyl)ethanol?
The IUPAC name of 2-(4-tert-butylphenyl)-1-(4-fluoro-2-methylphenyl)ethanol (CID 65150242) is 2-(4-tert-butylphenyl)-1-(4-fluoro-2-methylphenyl)ethanol.
What is the SMILES notation for 2-(4-tert-butylphenyl)-1-(4-fluoro-2-methylphenyl)ethanol?
The canonical SMILES for 2-(4-tert-butylphenyl)-1-(4-fluoro-2-methylphenyl)ethanol is Cc1cc(F)ccc1C(O)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-1-(4-fluoro-2-methylphenyl)ethanol?
The InChIKey is JNJAKAJLWKIKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FO/c1-13-11-16(20)9-10-17(13)18(21)12-14-5-7-15(8-6-14)19(2,3)4/h5-11,18,21H,12H2,1-4H3.
What are the key properties of 2-(4-tert-butylphenyl)-1-(4-fluoro-2-methylphenyl)ethanol?
2-(4-tert-butylphenyl)-1-(4-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 2-(4-tert-butylphenyl)-1-(4-fluoro-2-methylphenyl)ethanol is sourced from PubChem (CID 65150242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).