1-[3-fluoro-4-(2-propan-2-ylphenoxy)phenyl]ethanol

C17H19FO2 — CID 43506531

IUPAC1-[3-fluoro-4-(2-propan-2-ylphenoxy)phenyl]ethanol
SMILESCC(C)c1ccccc1Oc1ccc(C(C)O)cc1F
InChIInChI=1S/C17H19FO2/c1-11(2)14-6-4-5-7-16(14)20-17-9-8-13(12(3)19)10-15(17)18/h4-12,19H,1-3H3
InChIKeyLNNKQKUVZLXVQR-UHFFFAOYSA-N
MW274.34 g/mol
LogP4.79
Rot. Bonds4

About 1-[3-fluoro-4-(2-propan-2-ylphenoxy)phenyl]ethanol

1-[3-fluoro-4-(2-propan-2-ylphenoxy)phenyl]ethanol (PubChem CID 43506531) has the molecular formula C17H19FO2 and a molecular weight of 274.34 g/mol. Its IUPAC name is 1-[3-fluoro-4-(2-propan-2-ylphenoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[3-fluoro-4-(2-propan-2-ylphenoxy)phenyl]ethanol
PubChem CID43506531
Molecular FormulaC17H19FO2
Molecular Weight274.34 g/mol
Exact Mass274.14
IUPAC Name1-[3-fluoro-4-(2-propan-2-ylphenoxy)phenyl]ethanol
SMILESCC(C)c1ccccc1Oc1ccc(C(C)O)cc1F
InChIInChI=1S/C17H19FO2/c1-11(2)14-6-4-5-7-16(14)20-17-9-8-13(12(3)19)10-15(17)18/h4-12,19H,1-3H3
InChIKeyLNNKQKUVZLXVQR-UHFFFAOYSA-N
XLogP4.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-fluoro-4-(2-propan-2-ylphenoxy)phenyl]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

(1S)-1-[3-fluoro-4-(2-propan-2-ylphenoxy)phenyl]ethanol
CID 78941700
(1R)-1-[3-fluoro-4-(2-fluorophenoxy)phenyl]ethanol
CID 78941573
2,4-difluoro-1-(2-propan-2-ylphenoxy)benzene
CID 54486908
(1R)-1-[3-chloro-4-(2-propan-2-ylphenoxy)phenyl]ethanol
CID 63540954
(1R)-1-[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]ethanol
CID 107659139
(1S)-1-[4-(3-chloro-2-fluorophenoxy)-3-fluorophenyl]ethanol
CID 104892683
(1S)-1-[2-fluoro-6-(2-propan-2-ylphenoxy)phenyl]ethanol
CID 78941712
1-[2-fluoro-6-(2-propan-2-ylphenoxy)phenyl]ethanol
CID 43506529
N-[2-[2-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]phenyl]acetamide
CID 78938578
3-fluoro-4-(2-propan-2-ylphenoxy)benzenecarbothioamide
CID 43658061
4-(chloromethyl)-2-fluoro-1-(2-propan-2-ylphenoxy)benzene
CID 28947258
2-fluoro-6-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]benzonitrile
CID 63372522

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(2-propan-2-ylphenoxy)phenyl]ethanol?
The IUPAC name of 1-[3-fluoro-4-(2-propan-2-ylphenoxy)phenyl]ethanol (CID 43506531) is 1-[3-fluoro-4-(2-propan-2-ylphenoxy)phenyl]ethanol.
What is the SMILES notation for 1-[3-fluoro-4-(2-propan-2-ylphenoxy)phenyl]ethanol?
The canonical SMILES for 1-[3-fluoro-4-(2-propan-2-ylphenoxy)phenyl]ethanol is CC(C)c1ccccc1Oc1ccc(C(C)O)cc1F.
What is the InChIKey of 1-[3-fluoro-4-(2-propan-2-ylphenoxy)phenyl]ethanol?
The InChIKey is LNNKQKUVZLXVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FO2/c1-11(2)14-6-4-5-7-16(14)20-17-9-8-13(12(3)19)10-15(17)18/h4-12,19H,1-3H3.
What are the key properties of 1-[3-fluoro-4-(2-propan-2-ylphenoxy)phenyl]ethanol?
1-[3-fluoro-4-(2-propan-2-ylphenoxy)phenyl]ethanol has a molecular weight of 274.34 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(2-propan-2-ylphenoxy)phenyl]ethanol is sourced from PubChem (CID 43506531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).