3-[2-[2-[2-(1-fluoroethoxy)butoxy]phenyl]ethyl]phenol

C20H25FO3 — CID 142468540

IUPAC3-[2-[2-[2-(1-fluoroethoxy)butoxy]phenyl]ethyl]phenol
SMILESCCC(COc1ccccc1CCc1cccc(O)c1)OC(C)F
InChIInChI=1S/C20H25FO3/c1-3-19(24-15(2)21)14-23-20-10-5-4-8-17(20)12-11-16-7-6-9-18(22)13-16/h4-10,13,15,19,22H,3,11-12,14H2,1-2H3
InChIKeyWETGERJFUZKXKE-UHFFFAOYSA-N
MW332.42 g/mol
LogP4.67
Rot. Bonds9

About 3-[2-[2-[2-(1-fluoroethoxy)butoxy]phenyl]ethyl]phenol

3-[2-[2-[2-(1-fluoroethoxy)butoxy]phenyl]ethyl]phenol (PubChem CID 142468540) has the molecular formula C20H25FO3 and a molecular weight of 332.42 g/mol. Its IUPAC name is 3-[2-[2-[2-(1-fluoroethoxy)butoxy]phenyl]ethyl]phenol.

Molecular Properties

Compound Name3-[2-[2-[2-(1-fluoroethoxy)butoxy]phenyl]ethyl]phenol
PubChem CID142468540
Molecular FormulaC20H25FO3
Molecular Weight332.42 g/mol
Exact Mass332.18
IUPAC Name3-[2-[2-[2-(1-fluoroethoxy)butoxy]phenyl]ethyl]phenol
SMILESCCC(COc1ccccc1CCc1cccc(O)c1)OC(C)F
InChIInChI=1S/C20H25FO3/c1-3-19(24-15(2)21)14-23-20-10-5-4-8-17(20)12-11-16-7-6-9-18(22)13-16/h4-10,13,15,19,22H,3,11-12,14H2,1-2H3
InChIKeyWETGERJFUZKXKE-UHFFFAOYSA-N
XLogP4.67
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-[2-[2-(1-fluoroethoxy)butoxy]phenyl]ethyl]phenol 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

1-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]butan-2-ol
CID 135373025
[2-hydroxy-3-[2-[4-(3-hydroxyphenyl)butyl]phenoxy]propyl]-dimethylazanium chloride
CID 10833606
2-[2-(3-hydroxyphenyl)ethyl]phenol
CID 10560581
3-[2-[2-[(2S)-2-hydroxy-3-(1,3-oxazolidin-3-yl)propoxy]phenyl]ethyl]phenol
CID 146438414
3-(3-hydroxypentyl)phenol
CID 21193621
(3R)-N-(difluoromethyl)-N-methyl-3-(trifluoromethoxy)-4-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]butan-1-amine
CID 135372784
N,N-dimethyl-3-(trifluoromethoxy)-4-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]butan-1-amine
CID 146438832
(2S)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propane-1,2-diol
CID 134296045
3-[2-[2-[(2S)-2-hydroxy-3-imidazolidin-1-ylpropoxy]phenyl]ethyl]phenol;1-imidazolidin-1-yl-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;(2R)-1-imidazolidin-1-yl-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol
CID 167610918
N-methyl-3-(trifluoromethoxy)-4-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]-N-(trifluoromethyl)butan-1-amine
CID 146438833
(3R)-N-methyl-3-(trifluoromethoxy)-4-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]-N-(trifluoromethyl)butan-1-amine
CID 135372992
1-ethyl-3-[2-(2-prop-2-enoxyphenyl)ethyl]benzene
CID 142468495

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-(1-fluoroethoxy)butoxy]phenyl]ethyl]phenol?
The IUPAC name of 3-[2-[2-[2-(1-fluoroethoxy)butoxy]phenyl]ethyl]phenol (CID 142468540) is 3-[2-[2-[2-(1-fluoroethoxy)butoxy]phenyl]ethyl]phenol.
What is the SMILES notation for 3-[2-[2-[2-(1-fluoroethoxy)butoxy]phenyl]ethyl]phenol?
The canonical SMILES for 3-[2-[2-[2-(1-fluoroethoxy)butoxy]phenyl]ethyl]phenol is CCC(COc1ccccc1CCc1cccc(O)c1)OC(C)F.
What is the InChIKey of 3-[2-[2-[2-(1-fluoroethoxy)butoxy]phenyl]ethyl]phenol?
The InChIKey is WETGERJFUZKXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FO3/c1-3-19(24-15(2)21)14-23-20-10-5-4-8-17(20)12-11-16-7-6-9-18(22)13-16/h4-10,13,15,19,22H,3,11-12,14H2,1-2H3.
What are the key properties of 3-[2-[2-[2-(1-fluoroethoxy)butoxy]phenyl]ethyl]phenol?
3-[2-[2-[2-(1-fluoroethoxy)butoxy]phenyl]ethyl]phenol has a molecular weight of 332.42 g/mol, XLogP of 4.67, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-(1-fluoroethoxy)butoxy]phenyl]ethyl]phenol is sourced from PubChem (CID 142468540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).