(1R)-1-[2-(3-fluoropropoxy)phenyl]ethanol

C11H15FO2 — CID 81114221

IUPAC(1R)-1-[2-(3-fluoropropoxy)phenyl]ethanol
SMILESC[C@@H](O)c1ccccc1OCCCF
InChIInChI=1S/C11H15FO2/c1-9(13)10-5-2-3-6-11(10)14-8-4-7-12/h2-3,5-6,9,13H,4,7-8H2,1H3/t9-/m1/s1
InChIKeyIHMJNDGTCZYLGX-SECBINFHSA-N
MW198.24 g/mol
LogP2.48
Rot. Bonds5

About (1R)-1-[2-(3-fluoropropoxy)phenyl]ethanol

(1R)-1-[2-(3-fluoropropoxy)phenyl]ethanol (PubChem CID 81114221) has the molecular formula C11H15FO2 and a molecular weight of 198.24 g/mol. Its IUPAC name is (1R)-1-[2-(3-fluoropropoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-(3-fluoropropoxy)phenyl]ethanol
PubChem CID81114221
Molecular FormulaC11H15FO2
Molecular Weight198.24 g/mol
Exact Mass198.11
IUPAC Name(1R)-1-[2-(3-fluoropropoxy)phenyl]ethanol
SMILESC[C@@H](O)c1ccccc1OCCCF
InChIInChI=1S/C11H15FO2/c1-9(13)10-5-2-3-6-11(10)14-8-4-7-12/h2-3,5-6,9,13H,4,7-8H2,1H3/t9-/m1/s1
InChIKeyIHMJNDGTCZYLGX-SECBINFHSA-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'}

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Related Compounds

1-[2-(4-methylpentoxy)phenyl]ethanol
CID 112684876
1-(2-propoxyphenyl)ethanol
CID 43503976
(1S)-1-[2-(2-hydroxyethoxy)phenyl]ethanol
CID 78931625
5-[2-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol
CID 63364920
(1S)-1-(2-octoxyphenyl)ethanol
CID 55223229
(1R)-1-(2-nonoxyphenyl)ethanol
CID 78944592
1-[2-(2-phenoxyethoxy)phenyl]ethanol
CID 54794905
1-[2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanol
CID 61491136
(1S)-1-[2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanol
CID 106453765
(1S)-1-[2-(2-phenylethoxy)phenyl]ethanol
CID 78931363
1-[5-bromo-2-(3-fluoropropoxy)phenyl]ethanol
CID 81113258
1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
CID 103410264

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(3-fluoropropoxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[2-(3-fluoropropoxy)phenyl]ethanol (CID 81114221) is (1R)-1-[2-(3-fluoropropoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-(3-fluoropropoxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[2-(3-fluoropropoxy)phenyl]ethanol is C[C@@H](O)c1ccccc1OCCCF.
What is the InChIKey of (1R)-1-[2-(3-fluoropropoxy)phenyl]ethanol?
The InChIKey is IHMJNDGTCZYLGX-SECBINFHSA-N. The full InChI is InChI=1S/C11H15FO2/c1-9(13)10-5-2-3-6-11(10)14-8-4-7-12/h2-3,5-6,9,13H,4,7-8H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-[2-(3-fluoropropoxy)phenyl]ethanol?
(1R)-1-[2-(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 (1R)-1-[2-(3-fluoropropoxy)phenyl]ethanol is sourced from PubChem (CID 81114221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).