2-(2-fluoro-3-hydroxypropyl)phenol

C9H11FO2 — CID 105434416

IUPAC2-(2-fluoro-3-hydroxypropyl)phenol
SMILESOCC(F)Cc1ccccc1O
InChIInChI=1S/C9H11FO2/c10-8(6-11)5-7-3-1-2-4-9(7)12/h1-4,8,11-12H,5-6H2
InChIKeyVLUPQNVOGHUWDU-UHFFFAOYSA-N
MW170.18 g/mol
LogP1.27
Rot. Bonds3

About 2-(2-fluoro-3-hydroxypropyl)phenol

2-(2-fluoro-3-hydroxypropyl)phenol (PubChem CID 105434416) has the molecular formula C9H11FO2 and a molecular weight of 170.18 g/mol. Its IUPAC name is 2-(2-fluoro-3-hydroxypropyl)phenol.

Molecular Properties

Compound Name2-(2-fluoro-3-hydroxypropyl)phenol
PubChem CID105434416
Molecular FormulaC9H11FO2
Molecular Weight170.18 g/mol
Exact Mass170.07
IUPAC Name2-(2-fluoro-3-hydroxypropyl)phenol
SMILESOCC(F)Cc1ccccc1O
InChIInChI=1S/C9H11FO2/c10-8(6-11)5-7-3-1-2-4-9(7)12/h1-4,8,11-12H,5-6H2
InChIKeyVLUPQNVOGHUWDU-UHFFFAOYSA-N
XLogP1.27
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.18
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylpropyl)phenol;propane
CID 158609255
2-[2-(hydroxymethyl)butyl]phenol
CID 115015673
2-(3-hydroxy-2-methoxypropyl)phenol
CID 105440000
2-(2-fluoro-2-isocyanatoethyl)phenol
CID 105439185
2-(hydroxymethyl)phenol;methane
CID 157439231
CID 137424646
CID 137424646
2-(2-amino-2-cyclopropylethyl)phenol
CID 83827756
2-(2-hydroxy-3-methylbutyl)phenol
CID 130034512
2-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]phenol
CID 15278079
2-[[[(2-hydroxyphenyl)methylamino]methylamino]methyl]phenol
CID 59771868
calcium;hydride;2-(hydroxymethyl)phenol
CID 173090882
2-(2-isocyanopropyl)phenol
CID 105431640

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-hydroxypropyl)phenol?
The IUPAC name of 2-(2-fluoro-3-hydroxypropyl)phenol (CID 105434416) is 2-(2-fluoro-3-hydroxypropyl)phenol.
What is the SMILES notation for 2-(2-fluoro-3-hydroxypropyl)phenol?
The canonical SMILES for 2-(2-fluoro-3-hydroxypropyl)phenol is OCC(F)Cc1ccccc1O.
What is the InChIKey of 2-(2-fluoro-3-hydroxypropyl)phenol?
The InChIKey is VLUPQNVOGHUWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO2/c10-8(6-11)5-7-3-1-2-4-9(7)12/h1-4,8,11-12H,5-6H2.
What are the key properties of 2-(2-fluoro-3-hydroxypropyl)phenol?
2-(2-fluoro-3-hydroxypropyl)phenol has a molecular weight of 170.18 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-hydroxypropyl)phenol is sourced from PubChem (CID 105434416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).