4-(2,2-dimethylbutyl)-2-(5-fluoro-2-methylphenyl)phenol

C19H23FO — CID 70792866

IUPAC4-(2,2-dimethylbutyl)-2-(5-fluoro-2-methylphenyl)phenol
SMILESCCC(C)(C)Cc1ccc(O)c(-c2cc(F)ccc2C)c1
InChIInChI=1S/C19H23FO/c1-5-19(3,4)12-14-7-9-18(21)17(10-14)16-11-15(20)8-6-13(16)2/h6-11,21H,5,12H2,1-4H3
InChIKeyCZVBGGAGFNZSQH-UHFFFAOYSA-N
MW286.39 g/mol
LogP5.49
Rot. Bonds4

About 4-(2,2-dimethylbutyl)-2-(5-fluoro-2-methylphenyl)phenol

4-(2,2-dimethylbutyl)-2-(5-fluoro-2-methylphenyl)phenol (PubChem CID 70792866) has the molecular formula C19H23FO and a molecular weight of 286.39 g/mol. Its IUPAC name is 4-(2,2-dimethylbutyl)-2-(5-fluoro-2-methylphenyl)phenol.

Molecular Properties

Compound Name4-(2,2-dimethylbutyl)-2-(5-fluoro-2-methylphenyl)phenol
PubChem CID70792866
Molecular FormulaC19H23FO
Molecular Weight286.39 g/mol
Exact Mass286.17
IUPAC Name4-(2,2-dimethylbutyl)-2-(5-fluoro-2-methylphenyl)phenol
SMILESCCC(C)(C)Cc1ccc(O)c(-c2cc(F)ccc2C)c1
InChIInChI=1S/C19H23FO/c1-5-19(3,4)12-14-7-9-18(21)17(10-14)16-11-15(20)8-6-13(16)2/h6-11,21H,5,12H2,1-4H3
InChIKeyCZVBGGAGFNZSQH-UHFFFAOYSA-N
XLogP5.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.39
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylbutyl)-2-(5-fluoro-2-methylphenyl)phenol?
The IUPAC name of 4-(2,2-dimethylbutyl)-2-(5-fluoro-2-methylphenyl)phenol (CID 70792866) is 4-(2,2-dimethylbutyl)-2-(5-fluoro-2-methylphenyl)phenol.
What is the SMILES notation for 4-(2,2-dimethylbutyl)-2-(5-fluoro-2-methylphenyl)phenol?
The canonical SMILES for 4-(2,2-dimethylbutyl)-2-(5-fluoro-2-methylphenyl)phenol is CCC(C)(C)Cc1ccc(O)c(-c2cc(F)ccc2C)c1.
What is the InChIKey of 4-(2,2-dimethylbutyl)-2-(5-fluoro-2-methylphenyl)phenol?
The InChIKey is CZVBGGAGFNZSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FO/c1-5-19(3,4)12-14-7-9-18(21)17(10-14)16-11-15(20)8-6-13(16)2/h6-11,21H,5,12H2,1-4H3.
What are the key properties of 4-(2,2-dimethylbutyl)-2-(5-fluoro-2-methylphenyl)phenol?
4-(2,2-dimethylbutyl)-2-(5-fluoro-2-methylphenyl)phenol has a molecular weight of 286.39 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylbutyl)-2-(5-fluoro-2-methylphenyl)phenol is sourced from PubChem (CID 70792866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).