5-ethoxy-2-fluoro-3-methylphenol

C9H11FO2 — CID 164891522

IUPAC5-ethoxy-2-fluoro-3-methylphenol
SMILESCCOc1cc(C)c(F)c(O)c1
InChIInChI=1S/C9H11FO2/c1-3-12-7-4-6(2)9(10)8(11)5-7/h4-5,11H,3H2,1-2H3
InChIKeyIIOKLSRJVZGMMX-UHFFFAOYSA-N
MW170.18 g/mol
LogP2.24
Rot. Bonds2

About 5-ethoxy-2-fluoro-3-methylphenol

5-ethoxy-2-fluoro-3-methylphenol (PubChem CID 164891522) has the molecular formula C9H11FO2 and a molecular weight of 170.18 g/mol. Its IUPAC name is 5-ethoxy-2-fluoro-3-methylphenol.

Molecular Properties

Compound Name5-ethoxy-2-fluoro-3-methylphenol
PubChem CID164891522
Molecular FormulaC9H11FO2
Molecular Weight170.18 g/mol
Exact Mass170.07
IUPAC Name5-ethoxy-2-fluoro-3-methylphenol
SMILESCCOc1cc(C)c(F)c(O)c1
InChIInChI=1S/C9H11FO2/c1-3-12-7-4-6(2)9(10)8(11)5-7/h4-5,11H,3H2,1-2H3
InChIKeyIIOKLSRJVZGMMX-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-5-ethoxy-2-fluoro-3-methylbenzene
CID 164891518
5-ethoxy-2-fluoro-1-iodo-3-methylbenzene
CID 131287027
1-(5-ethoxy-2-fluoro-3-methylphenyl)ethanol
CID 164891517
2-(5-ethoxy-2-fluoro-3-hydroxyphenyl)acetic acid
CID 18444769
methyl 5-ethoxy-2-fluoro-3-methylbenzoate
CID 164891519
5-ethyl-2-fluoro-3-methylphenol
CID 89028057
CID 90242969
CID 90242969
4-ethoxy-2-fluoro-6-hydroxybenzonitrile
CID 131422202
4-ethoxy-2,3,5-trifluorophenol
CID 174599301
2-fluoro-5-(2-hydroxypropan-2-yl)-3-methylphenol
CID 117279863
2-ethoxy-4-fluoro-5-methylphenol
CID 125115951
methyl 4-ethoxy-2,6-dimethylbenzoate
CID 82552476

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-fluoro-3-methylphenol?
The IUPAC name of 5-ethoxy-2-fluoro-3-methylphenol (CID 164891522) is 5-ethoxy-2-fluoro-3-methylphenol.
What is the SMILES notation for 5-ethoxy-2-fluoro-3-methylphenol?
The canonical SMILES for 5-ethoxy-2-fluoro-3-methylphenol is CCOc1cc(C)c(F)c(O)c1.
What is the InChIKey of 5-ethoxy-2-fluoro-3-methylphenol?
The InChIKey is IIOKLSRJVZGMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO2/c1-3-12-7-4-6(2)9(10)8(11)5-7/h4-5,11H,3H2,1-2H3.
What are the key properties of 5-ethoxy-2-fluoro-3-methylphenol?
5-ethoxy-2-fluoro-3-methylphenol has a molecular weight of 170.18 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-fluoro-3-methylphenol is sourced from PubChem (CID 164891522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).