4-fluoro-3-(2-hydroxypropan-2-yl)phenol

C9H11FO2 — CID 84653712

IUPAC4-fluoro-3-(2-hydroxypropan-2-yl)phenol
SMILESCC(C)(O)c1cc(O)ccc1F
InChIInChI=1S/C9H11FO2/c1-9(2,12)7-5-6(11)3-4-8(7)10/h3-5,11-12H,1-2H3
InChIKeyBLIUTCTVZRDZFY-UHFFFAOYSA-N
MW170.18 g/mol
LogP1.76
Rot. Bonds1

About 4-fluoro-3-(2-hydroxypropan-2-yl)phenol

4-fluoro-3-(2-hydroxypropan-2-yl)phenol (PubChem CID 84653712) has the molecular formula C9H11FO2 and a molecular weight of 170.18 g/mol. Its IUPAC name is 4-fluoro-3-(2-hydroxypropan-2-yl)phenol.

Molecular Properties

Compound Name4-fluoro-3-(2-hydroxypropan-2-yl)phenol
PubChem CID84653712
Molecular FormulaC9H11FO2
Molecular Weight170.18 g/mol
Exact Mass170.07
IUPAC Name4-fluoro-3-(2-hydroxypropan-2-yl)phenol
SMILESCC(C)(O)c1cc(O)ccc1F
InChIInChI=1S/C9H11FO2/c1-9(2,12)7-5-6(11)3-4-8(7)10/h3-5,11-12H,1-2H3
InChIKeyBLIUTCTVZRDZFY-UHFFFAOYSA-N
XLogP1.76
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.18
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(2-hydroxypropan-2-yl)phenol?
The IUPAC name of 4-fluoro-3-(2-hydroxypropan-2-yl)phenol (CID 84653712) is 4-fluoro-3-(2-hydroxypropan-2-yl)phenol.
What is the SMILES notation for 4-fluoro-3-(2-hydroxypropan-2-yl)phenol?
The canonical SMILES for 4-fluoro-3-(2-hydroxypropan-2-yl)phenol is CC(C)(O)c1cc(O)ccc1F.
What is the InChIKey of 4-fluoro-3-(2-hydroxypropan-2-yl)phenol?
The InChIKey is BLIUTCTVZRDZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO2/c1-9(2,12)7-5-6(11)3-4-8(7)10/h3-5,11-12H,1-2H3.
What are the key properties of 4-fluoro-3-(2-hydroxypropan-2-yl)phenol?
4-fluoro-3-(2-hydroxypropan-2-yl)phenol has a molecular weight of 170.18 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(2-hydroxypropan-2-yl)phenol is sourced from PubChem (CID 84653712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).