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

C15H22FNO2 — CID 107720623

IUPAC(1S)-1-[2-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol
SMILESC[C@H](O)c1ccc(OCCCN2CCCC2)cc1F
InChIInChI=1S/C15H22FNO2/c1-12(18)14-6-5-13(11-15(14)16)19-10-4-9-17-7-2-3-8-17/h5-6,11-12,18H,2-4,7-10H2,1H3/t12-/m0/s1
InChIKeyNCOUZWIRGMLLNM-LBPRGKRZSA-N
MW267.34 g/mol
LogP2.74
Rot. Bonds6

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

(1S)-1-[2-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol (PubChem CID 107720623) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is (1S)-1-[2-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol
PubChem CID107720623
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name(1S)-1-[2-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol
SMILESC[C@H](O)c1ccc(OCCCN2CCCC2)cc1F
InChIInChI=1S/C15H22FNO2/c1-12(18)14-6-5-13(11-15(14)16)19-10-4-9-17-7-2-3-8-17/h5-6,11-12,18H,2-4,7-10H2,1H3/t12-/m0/s1
InChIKeyNCOUZWIRGMLLNM-LBPRGKRZSA-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

(1S)-1-[2-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]ethanol
CID 107720404
(1S)-1-[2-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]ethanamine
CID 107719023
1-[4-fluoro-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol
CID 63068202
(1R)-1-[2-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanol
CID 107912877
(1R)-1-[4-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol
CID 82000959
1-(2-fluoro-4-propoxyphenyl)ethanol
CID 107719521
1-[4-(3-ethoxypropoxy)-2-fluorophenyl]ethanol
CID 107719818
(1R)-1-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]ethanol
CID 107720300
1-[4-[2-(4-bromophenoxy)ethoxy]-2-fluorophenyl]ethanol
CID 107719528
(1R)-1-[4-(3,3-dimethylbutoxy)-2-fluorophenyl]ethanol
CID 107719914
(1R)-1-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol
CID 63364786
1-[4-(5-pyrrolidin-1-ylpentoxy)phenyl]ethanol
CID 11857382

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol?
The IUPAC name of (1S)-1-[2-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol (CID 107720623) is (1S)-1-[2-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol is C[C@H](O)c1ccc(OCCCN2CCCC2)cc1F.
What is the InChIKey of (1S)-1-[2-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol?
The InChIKey is NCOUZWIRGMLLNM-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-12(18)14-6-5-13(11-15(14)16)19-10-4-9-17-7-2-3-8-17/h5-6,11-12,18H,2-4,7-10H2,1H3/t12-/m0/s1.
What are the key properties of (1S)-1-[2-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol?
(1S)-1-[2-fluoro-4-(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 (1S)-1-[2-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol is sourced from PubChem (CID 107720623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).