1-[4-fluoro-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol

C15H22FNO2 — CID 63068202

IUPAC1-[4-fluoro-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol
SMILESCC(O)c1ccc(F)cc1OCCCN1CCCC1
InChIInChI=1S/C15H22FNO2/c1-12(18)14-6-5-13(16)11-15(14)19-10-4-9-17-7-2-3-8-17/h5-6,11-12,18H,2-4,7-10H2,1H3
InChIKeyJLSPIFISBFGZAV-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.74
Rot. Bonds6

About 1-[4-fluoro-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol

1-[4-fluoro-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol (PubChem CID 63068202) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-[4-fluoro-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[4-fluoro-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol
PubChem CID63068202
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name1-[4-fluoro-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol
SMILESCC(O)c1ccc(F)cc1OCCCN1CCCC1
InChIInChI=1S/C15H22FNO2/c1-12(18)14-6-5-13(16)11-15(14)19-10-4-9-17-7-2-3-8-17/h5-6,11-12,18H,2-4,7-10H2,1H3
InChIKeyJLSPIFISBFGZAV-UHFFFAOYSA-N
XLogP2.74
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol
CID 63364786
(1R)-1-[4-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol
CID 82000959
(1S)-1-[2-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol
CID 107720623
(1S)-1-(4-fluoro-2-pentoxyphenyl)ethanol
CID 78932382
5-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol
CID 78932245
N-ethyl-1-[4-fluoro-2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
CID 63065873
(1R)-1-[4-fluoro-2-(2-methoxyethoxy)phenyl]ethanol
CID 63366326
(1S)-1-[4-fluoro-2-(2-propan-2-yloxyethoxy)phenyl]ethanol
CID 63366184
(1R)-1-[4-fluoro-2-(3-phenoxypropoxy)phenyl]ethanol
CID 63366101
(1R)-1-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]ethanol
CID 63366014
1-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]ethanol
CID 64566512
(1S)-1-[4-fluoro-2-(2-methylsulfanylethoxy)phenyl]ethanol
CID 104863621

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol?
The IUPAC name of 1-[4-fluoro-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol (CID 63068202) is 1-[4-fluoro-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol.
What is the SMILES notation for 1-[4-fluoro-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol?
The canonical SMILES for 1-[4-fluoro-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol is CC(O)c1ccc(F)cc1OCCCN1CCCC1.
What is the InChIKey of 1-[4-fluoro-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol?
The InChIKey is JLSPIFISBFGZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-12(18)14-6-5-13(16)11-15(14)19-10-4-9-17-7-2-3-8-17/h5-6,11-12,18H,2-4,7-10H2,1H3.
What are the key properties of 1-[4-fluoro-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol?
1-[4-fluoro-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol has a molecular weight of 267.34 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol is sourced from PubChem (CID 63068202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).