2-fluoro-3-(1-hydroxyethyl)-5-methylphenol

C9H11FO2 — CID 117276803

IUPAC2-fluoro-3-(1-hydroxyethyl)-5-methylphenol
SMILESCc1cc(O)c(F)c(C(C)O)c1
InChIInChI=1S/C9H11FO2/c1-5-3-7(6(2)11)9(10)8(12)4-5/h3-4,6,11-12H,1-2H3
InChIKeyRDKUGPUCTPMGFP-UHFFFAOYSA-N
MW170.18 g/mol
LogP1.89
Rot. Bonds1

About 2-fluoro-3-(1-hydroxyethyl)-5-methylphenol

2-fluoro-3-(1-hydroxyethyl)-5-methylphenol (PubChem CID 117276803) has the molecular formula C9H11FO2 and a molecular weight of 170.18 g/mol. Its IUPAC name is 2-fluoro-3-(1-hydroxyethyl)-5-methylphenol.

Molecular Properties

Compound Name2-fluoro-3-(1-hydroxyethyl)-5-methylphenol
PubChem CID117276803
Molecular FormulaC9H11FO2
Molecular Weight170.18 g/mol
Exact Mass170.07
IUPAC Name2-fluoro-3-(1-hydroxyethyl)-5-methylphenol
SMILESCc1cc(O)c(F)c(C(C)O)c1
InChIInChI=1S/C9H11FO2/c1-5-3-7(6(2)11)9(10)8(12)4-5/h3-4,6,11-12H,1-2H3
InChIKeyRDKUGPUCTPMGFP-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-aminoethyl)-2-fluoro-5-methylphenol
CID 117276714
1-(2-fluoro-3,5-dimethylphenyl)ethanol
CID 83988897
2-chloro-6-fluoro-5-(1-hydroxyethyl)-3-methylphenol
CID 117293030
4-fluoro-5-(1-hydroxyethyl)-2-methylphenol
CID 117276801
6-chloro-2,3-difluoro-4-(1-hydroxyethyl)phenol
CID 117298062
3-cyclopropyl-3-(2-fluoro-3-hydroxy-5-methylphenyl)propanoic acid
CID 117348794
2-fluoro-6-(1-hydroxyethyl)-3-methylphenol
CID 117276805
2-fluoro-4-(1-hydroxyethyl)benzene-1,3-diol
CID 117276916
2-fluoro-3-(hydroxymethyl)-5-methylphenol
CID 117276057
4-fluoro-2-(1-hydroxyethyl)phenol
CID 53406163
1-(3-chloro-2,4,5-trifluorophenyl)ethanol
CID 117113843
1-(3-bromo-2,5-difluorophenyl)ethanol
CID 14621022

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(1-hydroxyethyl)-5-methylphenol?
The IUPAC name of 2-fluoro-3-(1-hydroxyethyl)-5-methylphenol (CID 117276803) is 2-fluoro-3-(1-hydroxyethyl)-5-methylphenol.
What is the SMILES notation for 2-fluoro-3-(1-hydroxyethyl)-5-methylphenol?
The canonical SMILES for 2-fluoro-3-(1-hydroxyethyl)-5-methylphenol is Cc1cc(O)c(F)c(C(C)O)c1.
What is the InChIKey of 2-fluoro-3-(1-hydroxyethyl)-5-methylphenol?
The InChIKey is RDKUGPUCTPMGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO2/c1-5-3-7(6(2)11)9(10)8(12)4-5/h3-4,6,11-12H,1-2H3.
What are the key properties of 2-fluoro-3-(1-hydroxyethyl)-5-methylphenol?
2-fluoro-3-(1-hydroxyethyl)-5-methylphenol has a molecular weight of 170.18 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(1-hydroxyethyl)-5-methylphenol is sourced from PubChem (CID 117276803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).