1-(2-fluoro-4-methylphenoxy)ethanol

C9H11FO2 — CID 134488224

IUPAC1-(2-fluoro-4-methylphenoxy)ethanol
SMILESCc1ccc(OC(C)O)c(F)c1
InChIInChI=1S/C9H11FO2/c1-6-3-4-9(8(10)5-6)12-7(2)11/h3-5,7,11H,1-2H3
InChIKeyIDOCJHABSBVXMU-UHFFFAOYSA-N
MW170.18 g/mol
LogP1.85
Rot. Bonds2

About 1-(2-fluoro-4-methylphenoxy)ethanol

1-(2-fluoro-4-methylphenoxy)ethanol (PubChem CID 134488224) has the molecular formula C9H11FO2 and a molecular weight of 170.18 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylphenoxy)ethanol.

Molecular Properties

Compound Name1-(2-fluoro-4-methylphenoxy)ethanol
PubChem CID134488224
Molecular FormulaC9H11FO2
Molecular Weight170.18 g/mol
Exact Mass170.07
IUPAC Name1-(2-fluoro-4-methylphenoxy)ethanol
SMILESCc1ccc(OC(C)O)c(F)c1
InChIInChI=1S/C9H11FO2/c1-6-3-4-9(8(10)5-6)12-7(2)11/h3-5,7,11H,1-2H3
InChIKeyIDOCJHABSBVXMU-UHFFFAOYSA-N
XLogP1.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.18
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(2-fluoro-4-methylphenoxy)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(2-fluoro-4-methylphenoxy)propan-1-ol
CID 90121366
1-butan-2-yloxy-2-fluoro-4-methylbenzene
CID 59391433
2-fluoro-4-methyl-1-(1,2,2,2-tetrafluoroethoxy)benzene
CID 22886332
[(2R)-2-(2-fluoro-4-methylphenoxy)propyl] (2S)-2-amino-3-methylbutanoate
CID 90121372
(1R)-1-[4-(2,4-dimethylphenoxy)-3-fluorophenyl]ethanol
CID 78941481
1-ethoxy-2-fluoro-4-methylbenzene
CID 21057749
(2-fluoro-4-methylphenyl)methanediol
CID 129136979
1-(2,3,5-trifluorophenoxy)ethanol
CID 143423169
(1R)-1-[4-(2-chloro-4-methylphenoxy)-3-fluorophenyl]ethanol
CID 78941905
2-fluoro-1-[3-fluoro-4-(1,2,2,2-tetrafluoroethoxy)phenyl]-4-methylbenzene
CID 21026873
ethane;1-(2-fluoro-4-methylphenoxy)-2-methylpropan-2-ol
CID 145227313
2-(2-fluoro-4-methylphenoxy)ethanamine
CID 83695309

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylphenoxy)ethanol?
The IUPAC name of 1-(2-fluoro-4-methylphenoxy)ethanol (CID 134488224) is 1-(2-fluoro-4-methylphenoxy)ethanol.
What is the SMILES notation for 1-(2-fluoro-4-methylphenoxy)ethanol?
The canonical SMILES for 1-(2-fluoro-4-methylphenoxy)ethanol is Cc1ccc(OC(C)O)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methylphenoxy)ethanol?
The InChIKey is IDOCJHABSBVXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO2/c1-6-3-4-9(8(10)5-6)12-7(2)11/h3-5,7,11H,1-2H3.
What are the key properties of 1-(2-fluoro-4-methylphenoxy)ethanol?
1-(2-fluoro-4-methylphenoxy)ethanol has a molecular weight of 170.18 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methylphenoxy)ethanol is sourced from PubChem (CID 134488224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).