(1S)-1-(3-fluoro-5-pentoxyphenyl)ethanol

C13H19FO2 — CID 97294401

IUPAC(1S)-1-(3-fluoro-5-pentoxyphenyl)ethanol
SMILESCCCCCOc1cc(F)cc([C@H](C)O)c1
InChIInChI=1S/C13H19FO2/c1-3-4-5-6-16-13-8-11(10(2)15)7-12(14)9-13/h7-10,15H,3-6H2,1-2H3/t10-/m0/s1
InChIKeyQVUVJSSCDKUYCR-JTQLQIEISA-N
MW226.29 g/mol
LogP3.45
Rot. Bonds6

About (1S)-1-(3-fluoro-5-pentoxyphenyl)ethanol

(1S)-1-(3-fluoro-5-pentoxyphenyl)ethanol (PubChem CID 97294401) has the molecular formula C13H19FO2 and a molecular weight of 226.29 g/mol. Its IUPAC name is (1S)-1-(3-fluoro-5-pentoxyphenyl)ethanol.

Molecular Properties

Compound Name(1S)-1-(3-fluoro-5-pentoxyphenyl)ethanol
PubChem CID97294401
Molecular FormulaC13H19FO2
Molecular Weight226.29 g/mol
Exact Mass226.14
IUPAC Name(1S)-1-(3-fluoro-5-pentoxyphenyl)ethanol
SMILESCCCCCOc1cc(F)cc([C@H](C)O)c1
InChIInChI=1S/C13H19FO2/c1-3-4-5-6-16-13-8-11(10(2)15)7-12(14)9-13/h7-10,15H,3-6H2,1-2H3/t10-/m0/s1
InChIKeyQVUVJSSCDKUYCR-JTQLQIEISA-N
XLogP3.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 53.45
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-(3-fluoro-5-pentoxyphenyl)ethanol
CID 91657933
(1R)-1-(4-pentoxyphenyl)ethanol
CID 25324369
3-fluoro-5-pentoxybenzenethiol
CID 91655201
(1R)-1-(4-nonoxyphenyl)ethanol
CID 78944579
1-bromo-3-fluoro-5-pentoxybenzene
CID 79015676
(1R)-1-(4-octoxyphenyl)ethanol
CID 55223040
(4-butoxyphenyl)-(3,5-difluorophenyl)methanol
CID 105093285
(1S)-1-(3-butoxyphenyl)ethanol
CID 78933868
3,3,4,4-tetrafluoro-1-(3-fluoro-5-propoxyphenyl)butan-1-ol
CID 172798464
(1S)-1-(4-fluoro-2-pentoxyphenyl)ethanol
CID 78932382
1-(3,5-difluorophenyl)hexan-1-ol
CID 62608438
N-[2-(3,5-difluorophenoxy)ethyl]hexan-1-amine
CID 62783809

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-fluoro-5-pentoxyphenyl)ethanol?
The IUPAC name of (1S)-1-(3-fluoro-5-pentoxyphenyl)ethanol (CID 97294401) is (1S)-1-(3-fluoro-5-pentoxyphenyl)ethanol.
What is the SMILES notation for (1S)-1-(3-fluoro-5-pentoxyphenyl)ethanol?
The canonical SMILES for (1S)-1-(3-fluoro-5-pentoxyphenyl)ethanol is CCCCCOc1cc(F)cc([C@H](C)O)c1.
What is the InChIKey of (1S)-1-(3-fluoro-5-pentoxyphenyl)ethanol?
The InChIKey is QVUVJSSCDKUYCR-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19FO2/c1-3-4-5-6-16-13-8-11(10(2)15)7-12(14)9-13/h7-10,15H,3-6H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-(3-fluoro-5-pentoxyphenyl)ethanol?
(1S)-1-(3-fluoro-5-pentoxyphenyl)ethanol has a molecular weight of 226.29 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-fluoro-5-pentoxyphenyl)ethanol is sourced from PubChem (CID 97294401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).