(1R)-1-[3-fluoro-4-(4-methoxybutoxy)phenyl]ethanol

C13H19FO3 — CID 104648044

IUPAC(1R)-1-[3-fluoro-4-(4-methoxybutoxy)phenyl]ethanol
SMILESCOCCCCOc1ccc([C@@H](C)O)cc1F
InChIInChI=1S/C13H19FO3/c1-10(15)11-5-6-13(12(14)9-11)17-8-4-3-7-16-2/h5-6,9-10,15H,3-4,7-8H2,1-2H3/t10-/m1/s1
InChIKeyNYEMITGVORTCLV-SNVBAGLBSA-N
MW242.29 g/mol
LogP2.68
Rot. Bonds7

About (1R)-1-[3-fluoro-4-(4-methoxybutoxy)phenyl]ethanol

(1R)-1-[3-fluoro-4-(4-methoxybutoxy)phenyl]ethanol (PubChem CID 104648044) has the molecular formula C13H19FO3 and a molecular weight of 242.29 g/mol. Its IUPAC name is (1R)-1-[3-fluoro-4-(4-methoxybutoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-fluoro-4-(4-methoxybutoxy)phenyl]ethanol
PubChem CID104648044
Molecular FormulaC13H19FO3
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC Name(1R)-1-[3-fluoro-4-(4-methoxybutoxy)phenyl]ethanol
SMILESCOCCCCOc1ccc([C@@H](C)O)cc1F
InChIInChI=1S/C13H19FO3/c1-10(15)11-5-6-13(12(14)9-11)17-8-4-3-7-16-2/h5-6,9-10,15H,3-4,7-8H2,1-2H3/t10-/m1/s1
InChIKeyNYEMITGVORTCLV-SNVBAGLBSA-N
XLogP2.68
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (1R)-1-[3-fluoro-4-(4-methoxybutoxy)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

1-[3-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
CID 103410324
1-(4-butoxy-3-fluorophenyl)ethanol
CID 91636248
1-[2-fluoro-4-(1-hydroxyethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106991174
1-[3-fluoro-4-(3-methoxypropylsulfanyl)phenyl]ethanol
CID 63856190
(1S)-1-[3-fluoro-4-(2-methylsulfanylethoxy)phenyl]ethanol
CID 104863655
1-[3-fluoro-4-(3-methylbut-3-enoxy)phenyl]ethanol
CID 114472844
6-[2-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]-2,2-dimethylhexanenitrile
CID 106712998
(1S)-1-[4-(2-cyclopentylethoxy)-3-fluorophenyl]ethanol
CID 114191389
(1R)-1-[3-fluoro-4-[4-(2-methoxyethyl)phenoxy]phenyl]ethanol
CID 63372547
1-(3-fluoro-4-phenylmethoxyphenyl)ethanol
CID 115582207
1-[4-(2,4-dimethylpentoxy)-3-fluorophenyl]ethanol
CID 114200314
1,1,1-trifluoro-3-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol
CID 113389652

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-fluoro-4-(4-methoxybutoxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[3-fluoro-4-(4-methoxybutoxy)phenyl]ethanol (CID 104648044) is (1R)-1-[3-fluoro-4-(4-methoxybutoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-fluoro-4-(4-methoxybutoxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-fluoro-4-(4-methoxybutoxy)phenyl]ethanol is COCCCCOc1ccc([C@@H](C)O)cc1F.
What is the InChIKey of (1R)-1-[3-fluoro-4-(4-methoxybutoxy)phenyl]ethanol?
The InChIKey is NYEMITGVORTCLV-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19FO3/c1-10(15)11-5-6-13(12(14)9-11)17-8-4-3-7-16-2/h5-6,9-10,15H,3-4,7-8H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[3-fluoro-4-(4-methoxybutoxy)phenyl]ethanol?
(1R)-1-[3-fluoro-4-(4-methoxybutoxy)phenyl]ethanol has a molecular weight of 242.29 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-fluoro-4-(4-methoxybutoxy)phenyl]ethanol is sourced from PubChem (CID 104648044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).