2-(1-fluoroethyl)-4,5-dimethoxyphenol

C10H13FO3 — CID 84669374

IUPAC2-(1-fluoroethyl)-4,5-dimethoxyphenol
SMILESCOc1cc(O)c(C(C)F)cc1OC
InChIInChI=1S/C10H13FO3/c1-6(11)7-4-9(13-2)10(14-3)5-8(7)12/h4-6,12H,1-3H3
InChIKeyAXJFXHRUSAAHCY-UHFFFAOYSA-N
MW200.21 g/mol
LogP2.44
Rot. Bonds3

About 2-(1-fluoroethyl)-4,5-dimethoxyphenol

2-(1-fluoroethyl)-4,5-dimethoxyphenol (PubChem CID 84669374) has the molecular formula C10H13FO3 and a molecular weight of 200.21 g/mol. Its IUPAC name is 2-(1-fluoroethyl)-4,5-dimethoxyphenol.

Molecular Properties

Compound Name2-(1-fluoroethyl)-4,5-dimethoxyphenol
PubChem CID84669374
Molecular FormulaC10H13FO3
Molecular Weight200.21 g/mol
Exact Mass200.08
IUPAC Name2-(1-fluoroethyl)-4,5-dimethoxyphenol
SMILESCOc1cc(O)c(C(C)F)cc1OC
InChIInChI=1S/C10H13FO3/c1-6(11)7-4-9(13-2)10(14-3)5-8(7)12/h4-6,12H,1-3H3
InChIKeyAXJFXHRUSAAHCY-UHFFFAOYSA-N
XLogP2.44
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-fluoroethyl)-4,5-dimethoxyphenol 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

4-(1-aminoethyl)-2,5-dimethoxyphenol
CID 117287023
2-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]-2-hydroxyacetic acid
CID 117398867
4,5-dimethoxy-2-(6-methylhept-5-en-2-yl)phenol
CID 10934350
3-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]-2-methylpropanoic acid
CID 117428925
3-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]propanoic acid
CID 117393988
(1R)-1-(2,4,5-trimethoxyphenyl)ethanol
CID 163198569
4-chloro-2-(1-hydroxyethyl)-5-methoxyphenol
CID 117291182
1-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]-2-(methylamino)ethanone
CID 117391080
3-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]propan-1-amine
CID 117355470
2-(1-aminoethyl)-5-bromo-4-methoxyphenol
CID 84705553
2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]propan-2-ol
CID 117357814
1-(4,5-dimethoxy-2-propan-2-ylphenyl)ethanol
CID 117322382

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoroethyl)-4,5-dimethoxyphenol?
The IUPAC name of 2-(1-fluoroethyl)-4,5-dimethoxyphenol (CID 84669374) is 2-(1-fluoroethyl)-4,5-dimethoxyphenol.
What is the SMILES notation for 2-(1-fluoroethyl)-4,5-dimethoxyphenol?
The canonical SMILES for 2-(1-fluoroethyl)-4,5-dimethoxyphenol is COc1cc(O)c(C(C)F)cc1OC.
What is the InChIKey of 2-(1-fluoroethyl)-4,5-dimethoxyphenol?
The InChIKey is AXJFXHRUSAAHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO3/c1-6(11)7-4-9(13-2)10(14-3)5-8(7)12/h4-6,12H,1-3H3.
What are the key properties of 2-(1-fluoroethyl)-4,5-dimethoxyphenol?
2-(1-fluoroethyl)-4,5-dimethoxyphenol has a molecular weight of 200.21 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroethyl)-4,5-dimethoxyphenol is sourced from PubChem (CID 84669374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).