1-(4-butoxy-3-fluorophenyl)ethanol

C12H17FO2 — CID 91636248

IUPAC1-(4-butoxy-3-fluorophenyl)ethanol
SMILESCCCCOc1ccc(C(C)O)cc1F
InChIInChI=1S/C12H17FO2/c1-3-4-7-15-12-6-5-10(9(2)14)8-11(12)13/h5-6,8-9,14H,3-4,7H2,1-2H3
InChIKeyMXZANZLLIQXQDH-UHFFFAOYSA-N
MW212.26 g/mol
LogP3.06
Rot. Bonds5

About 1-(4-butoxy-3-fluorophenyl)ethanol

1-(4-butoxy-3-fluorophenyl)ethanol (PubChem CID 91636248) has the molecular formula C12H17FO2 and a molecular weight of 212.26 g/mol. Its IUPAC name is 1-(4-butoxy-3-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(4-butoxy-3-fluorophenyl)ethanol
PubChem CID91636248
Molecular FormulaC12H17FO2
Molecular Weight212.26 g/mol
Exact Mass212.12
IUPAC Name1-(4-butoxy-3-fluorophenyl)ethanol
SMILESCCCCOc1ccc(C(C)O)cc1F
InChIInChI=1S/C12H17FO2/c1-3-4-7-15-12-6-5-10(9(2)14)8-11(12)13/h5-6,8-9,14H,3-4,7H2,1-2H3
InChIKeyMXZANZLLIQXQDH-UHFFFAOYSA-N
XLogP3.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 53.06
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

(1R)-1-[3-fluoro-4-(4-methoxybutoxy)phenyl]ethanol
CID 104648044
1-(4-butoxy-3-fluorophenyl)-2,2-dichloroethanol
CID 164893100
(1S)-1-[3-fluoro-4-(2-methylsulfanylethoxy)phenyl]ethanol
CID 104863655
1-[3-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
CID 103410324
(1S)-1-(4-butoxy-3-methoxyphenyl)ethanol
CID 63364662
1-(4-butoxy-3-chlorophenyl)ethanol
CID 91632940
1-[3-fluoro-4-(3-methylbut-3-enoxy)phenyl]ethanol
CID 114472844
(1S)-1-(4-fluoro-3-propoxyphenyl)ethanol
CID 97294393
2-fluoro-4-propan-2-yl-1-propoxybenzene
CID 67978486
(1S)-1-[4-(2-cyclopentylethoxy)-3-fluorophenyl]ethanol
CID 114191389
6-[2-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]-2,2-dimethylhexanenitrile
CID 106712998
1-(4-methoxy-3-pentoxyphenyl)ethanol
CID 91655145

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxy-3-fluorophenyl)ethanol?
The IUPAC name of 1-(4-butoxy-3-fluorophenyl)ethanol (CID 91636248) is 1-(4-butoxy-3-fluorophenyl)ethanol.
What is the SMILES notation for 1-(4-butoxy-3-fluorophenyl)ethanol?
The canonical SMILES for 1-(4-butoxy-3-fluorophenyl)ethanol is CCCCOc1ccc(C(C)O)cc1F.
What is the InChIKey of 1-(4-butoxy-3-fluorophenyl)ethanol?
The InChIKey is MXZANZLLIQXQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO2/c1-3-4-7-15-12-6-5-10(9(2)14)8-11(12)13/h5-6,8-9,14H,3-4,7H2,1-2H3.
What are the key properties of 1-(4-butoxy-3-fluorophenyl)ethanol?
1-(4-butoxy-3-fluorophenyl)ethanol has a molecular weight of 212.26 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxy-3-fluorophenyl)ethanol is sourced from PubChem (CID 91636248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).