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

C9H11FO2 — CID 105434418

IUPAC3-(2-fluoro-3-hydroxypropyl)phenol
SMILESOCC(F)Cc1cccc(O)c1
InChIInChI=1S/C9H11FO2/c10-8(6-11)4-7-2-1-3-9(12)5-7/h1-3,5,8,11-12H,4,6H2
InChIKeyOEQLLYFSRMZCFK-UHFFFAOYSA-N
MW170.18 g/mol
LogP1.27
Rot. Bonds3

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

3-(2-fluoro-3-hydroxypropyl)phenol (PubChem CID 105434418) has the molecular formula C9H11FO2 and a molecular weight of 170.18 g/mol. Its IUPAC name is 3-(2-fluoro-3-hydroxypropyl)phenol.

Molecular Properties

Compound Name3-(2-fluoro-3-hydroxypropyl)phenol
PubChem CID105434418
Molecular FormulaC9H11FO2
Molecular Weight170.18 g/mol
Exact Mass170.07
IUPAC Name3-(2-fluoro-3-hydroxypropyl)phenol
SMILESOCC(F)Cc1cccc(O)c1
InChIInChI=1S/C9H11FO2/c10-8(6-11)4-7-2-1-3-9(12)5-7/h1-3,5,8,11-12H,4,6H2
InChIKeyOEQLLYFSRMZCFK-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

3-[3-(hydroxymethyl)-4-(3-hydroxyphenyl)-2-methylbutyl]phenol
CID 142337153
3-(2-sulfanylpropyl)phenol
CID 115013475
5-(3-hydroxyphenyl)pentane-1,3,4-triol
CID 175541454
2-(3-hydroxyphenyl)ethanethial
CID 54574917
3-[2-(1,2,2-trifluoroethylamino)propyl]phenol
CID 175392255
3-(3-fluorobutyl)phenol
CID 84653086
3-(3-hydroxyphenyl)-2-methoxypropanal
CID 105438620
3-(3-amino-2-methyl-3-phenylpropyl)phenol
CID 113460077
3-(3-hydroxy-2-methylpentyl)phenol
CID 19426978
3-(2-nitropropyl)phenol
CID 55250663
3-[2-(furan-2-yl)-2-hydroxyethyl]phenol
CID 71201493
2-amino-3-(3-hydroxyphenyl)propanoate
CID 22492054

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-3-hydroxypropyl)phenol?
The IUPAC name of 3-(2-fluoro-3-hydroxypropyl)phenol (CID 105434418) is 3-(2-fluoro-3-hydroxypropyl)phenol.
What is the SMILES notation for 3-(2-fluoro-3-hydroxypropyl)phenol?
The canonical SMILES for 3-(2-fluoro-3-hydroxypropyl)phenol is OCC(F)Cc1cccc(O)c1.
What is the InChIKey of 3-(2-fluoro-3-hydroxypropyl)phenol?
The InChIKey is OEQLLYFSRMZCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO2/c10-8(6-11)4-7-2-1-3-9(12)5-7/h1-3,5,8,11-12H,4,6H2.
What are the key properties of 3-(2-fluoro-3-hydroxypropyl)phenol?
3-(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 3-(2-fluoro-3-hydroxypropyl)phenol is sourced from PubChem (CID 105434418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).