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

C9H11FO2 — CID 117276801

IUPAC4-fluoro-5-(1-hydroxyethyl)-2-methylphenol
SMILESCc1cc(F)c(C(C)O)cc1O
InChIInChI=1S/C9H11FO2/c1-5-3-8(10)7(6(2)11)4-9(5)12/h3-4,6,11-12H,1-2H3
InChIKeyHTZYXWIFPUMXOH-UHFFFAOYSA-N
MW170.18 g/mol
LogP1.89
Rot. Bonds1

About 4-fluoro-5-(1-hydroxyethyl)-2-methylphenol

4-fluoro-5-(1-hydroxyethyl)-2-methylphenol (PubChem CID 117276801) has the molecular formula C9H11FO2 and a molecular weight of 170.18 g/mol. Its IUPAC name is 4-fluoro-5-(1-hydroxyethyl)-2-methylphenol.

Molecular Properties

Compound Name4-fluoro-5-(1-hydroxyethyl)-2-methylphenol
PubChem CID117276801
Molecular FormulaC9H11FO2
Molecular Weight170.18 g/mol
Exact Mass170.07
IUPAC Name4-fluoro-5-(1-hydroxyethyl)-2-methylphenol
SMILESCc1cc(F)c(C(C)O)cc1O
InChIInChI=1S/C9H11FO2/c1-5-3-8(10)7(6(2)11)4-9(5)12/h3-4,6,11-12H,1-2H3
InChIKeyHTZYXWIFPUMXOH-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

ethane;4-fluoro-2-methyl-5-propan-2-ylphenol
CID 145193990
(1S)-1-(2,4-difluoro-5-methylphenyl)ethanol
CID 82759306
2-chloro-5-fluoro-4-(1-hydroxyethyl)phenol
CID 84662920
2-bromo-5-fluoro-4-(1-hydroxyethyl)phenol
CID 84698228
4-fluoro-2,5-dimethylphenol
CID 22627623
1-(2-fluoro-4-methoxy-5-methylphenyl)ethanol
CID 84659572
1-(5-chloro-2,4-difluorophenyl)ethanol
CID 117283331
5-amino-4-fluoro-2-methylphenol
CID 10154098
2-fluoro-3-(1-hydroxyethyl)-5-methylphenol
CID 117276803
4-amino-3-(2-fluoro-5-hydroxy-4-methylphenyl)butanoic acid
CID 84791306
4-amino-4-(2-fluoro-5-hydroxy-4-methylphenyl)butanoic acid
CID 84791312
2-fluoro-5-(1-hydroxyethyl)-4-methylbenzoic acid
CID 117287628

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-(1-hydroxyethyl)-2-methylphenol?
The IUPAC name of 4-fluoro-5-(1-hydroxyethyl)-2-methylphenol (CID 117276801) is 4-fluoro-5-(1-hydroxyethyl)-2-methylphenol.
What is the SMILES notation for 4-fluoro-5-(1-hydroxyethyl)-2-methylphenol?
The canonical SMILES for 4-fluoro-5-(1-hydroxyethyl)-2-methylphenol is Cc1cc(F)c(C(C)O)cc1O.
What is the InChIKey of 4-fluoro-5-(1-hydroxyethyl)-2-methylphenol?
The InChIKey is HTZYXWIFPUMXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO2/c1-5-3-8(10)7(6(2)11)4-9(5)12/h3-4,6,11-12H,1-2H3.
What are the key properties of 4-fluoro-5-(1-hydroxyethyl)-2-methylphenol?
4-fluoro-5-(1-hydroxyethyl)-2-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 4-fluoro-5-(1-hydroxyethyl)-2-methylphenol is sourced from PubChem (CID 117276801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).