3-fluoro-2,4-di(propan-2-yl)phenol

C12H17FO — CID 174716434

IUPAC3-fluoro-2,4-di(propan-2-yl)phenol
SMILESCC(C)c1ccc(O)c(C(C)C)c1F
InChIInChI=1S/C12H17FO/c1-7(2)9-5-6-10(14)11(8(3)4)12(9)13/h5-8,14H,1-4H3
InChIKeyTZXHZQWEFGSFJX-UHFFFAOYSA-N
MW196.26 g/mol
LogP3.78
Rot. Bonds2

About 3-fluoro-2,4-di(propan-2-yl)phenol

3-fluoro-2,4-di(propan-2-yl)phenol (PubChem CID 174716434) has the molecular formula C12H17FO and a molecular weight of 196.26 g/mol. Its IUPAC name is 3-fluoro-2,4-di(propan-2-yl)phenol.

Molecular Properties

Compound Name3-fluoro-2,4-di(propan-2-yl)phenol
PubChem CID174716434
Molecular FormulaC12H17FO
Molecular Weight196.26 g/mol
Exact Mass196.13
IUPAC Name3-fluoro-2,4-di(propan-2-yl)phenol
SMILESCC(C)c1ccc(O)c(C(C)C)c1F
InChIInChI=1S/C12H17FO/c1-7(2)9-5-6-10(14)11(8(3)4)12(9)13/h5-8,14H,1-4H3
InChIKeyTZXHZQWEFGSFJX-UHFFFAOYSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.26
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,4-di(propan-2-yl)phenol?
The IUPAC name of 3-fluoro-2,4-di(propan-2-yl)phenol (CID 174716434) is 3-fluoro-2,4-di(propan-2-yl)phenol.
What is the SMILES notation for 3-fluoro-2,4-di(propan-2-yl)phenol?
The canonical SMILES for 3-fluoro-2,4-di(propan-2-yl)phenol is CC(C)c1ccc(O)c(C(C)C)c1F.
What is the InChIKey of 3-fluoro-2,4-di(propan-2-yl)phenol?
The InChIKey is TZXHZQWEFGSFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO/c1-7(2)9-5-6-10(14)11(8(3)4)12(9)13/h5-8,14H,1-4H3.
What are the key properties of 3-fluoro-2,4-di(propan-2-yl)phenol?
3-fluoro-2,4-di(propan-2-yl)phenol has a molecular weight of 196.26 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,4-di(propan-2-yl)phenol is sourced from PubChem (CID 174716434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).