(1S)-1-[3-(3-fluoropropoxy)phenyl]ethanol

C11H15FO2 — CID 81114457

IUPAC(1S)-1-[3-(3-fluoropropoxy)phenyl]ethanol
SMILESC[C@H](O)c1cccc(OCCCF)c1
InChIInChI=1S/C11H15FO2/c1-9(13)10-4-2-5-11(8-10)14-7-3-6-12/h2,4-5,8-9,13H,3,6-7H2,1H3/t9-/m0/s1
InChIKeyNCLCDYHCEVGVCM-VIFPVBQESA-N
MW198.24 g/mol
LogP2.48
Rot. Bonds5

About (1S)-1-[3-(3-fluoropropoxy)phenyl]ethanol

(1S)-1-[3-(3-fluoropropoxy)phenyl]ethanol (PubChem CID 81114457) has the molecular formula C11H15FO2 and a molecular weight of 198.24 g/mol. Its IUPAC name is (1S)-1-[3-(3-fluoropropoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[3-(3-fluoropropoxy)phenyl]ethanol
PubChem CID81114457
Molecular FormulaC11H15FO2
Molecular Weight198.24 g/mol
Exact Mass198.11
IUPAC Name(1S)-1-[3-(3-fluoropropoxy)phenyl]ethanol
SMILESC[C@H](O)c1cccc(OCCCF)c1
InChIInChI=1S/C11H15FO2/c1-9(13)10-4-2-5-11(8-10)14-7-3-6-12/h2,4-5,8-9,13H,3,6-7H2,1H3/t9-/m0/s1
InChIKeyNCLCDYHCEVGVCM-VIFPVBQESA-N
XLogP2.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S)-1-[3-(3-fluoropropoxy)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-butoxyphenyl)ethanol
CID 78933868
(1R)-1-[3-(2-phenoxyethoxy)phenyl]ethanol
CID 63365536
1-[3-[3-(dimethylamino)propoxy]phenyl]ethanol
CID 112508038
(1S)-1-[4-(3-fluoropropoxy)phenyl]ethanol
CID 81113862
(1R)-1-[3-(3,3-dimethylbutoxy)phenyl]ethanol
CID 63365378
(1S)-1-[3-(3-methylsulfonylpropoxy)phenyl]ethanol
CID 78933948
(1R)-1-[3-(2-propoxyethoxy)phenyl]ethanol
CID 106453772
(1R)-1-[3-(3-imidazol-1-ylpropoxy)phenyl]ethanol
CID 63365749
1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
(1S)-1-[3-(2-fluoroethoxy)phenyl]ethanamine
CID 80698499
(1R)-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol
CID 78934419
3-[3-[(1R)-1-hydroxyethyl]phenoxy]-N-methylpropanamide
CID 63365492

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(3-fluoropropoxy)phenyl]ethanol?
The IUPAC name of (1S)-1-[3-(3-fluoropropoxy)phenyl]ethanol (CID 81114457) is (1S)-1-[3-(3-fluoropropoxy)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[3-(3-fluoropropoxy)phenyl]ethanol?
The canonical SMILES for (1S)-1-[3-(3-fluoropropoxy)phenyl]ethanol is C[C@H](O)c1cccc(OCCCF)c1.
What is the InChIKey of (1S)-1-[3-(3-fluoropropoxy)phenyl]ethanol?
The InChIKey is NCLCDYHCEVGVCM-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15FO2/c1-9(13)10-4-2-5-11(8-10)14-7-3-6-12/h2,4-5,8-9,13H,3,6-7H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-[3-(3-fluoropropoxy)phenyl]ethanol?
(1S)-1-[3-(3-fluoropropoxy)phenyl]ethanol has a molecular weight of 198.24 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(3-fluoropropoxy)phenyl]ethanol is sourced from PubChem (CID 81114457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).