1-[4-(2,4-dimethylpentoxy)-3-fluorophenyl]ethanol

C15H23FO2 — CID 114200314

IUPAC1-[4-(2,4-dimethylpentoxy)-3-fluorophenyl]ethanol
SMILESCC(C)CC(C)COc1ccc(C(C)O)cc1F
InChIInChI=1S/C15H23FO2/c1-10(2)7-11(3)9-18-15-6-5-13(12(4)17)8-14(15)16/h5-6,8,10-12,17H,7,9H2,1-4H3
InChIKeyBWBNGPUGHXLFHW-UHFFFAOYSA-N
MW254.34 g/mol
LogP3.94
Rot. Bonds6

About 1-[4-(2,4-dimethylpentoxy)-3-fluorophenyl]ethanol

1-[4-(2,4-dimethylpentoxy)-3-fluorophenyl]ethanol (PubChem CID 114200314) has the molecular formula C15H23FO2 and a molecular weight of 254.34 g/mol. Its IUPAC name is 1-[4-(2,4-dimethylpentoxy)-3-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[4-(2,4-dimethylpentoxy)-3-fluorophenyl]ethanol
PubChem CID114200314
Molecular FormulaC15H23FO2
Molecular Weight254.34 g/mol
Exact Mass254.17
IUPAC Name1-[4-(2,4-dimethylpentoxy)-3-fluorophenyl]ethanol
SMILESCC(C)CC(C)COc1ccc(C(C)O)cc1F
InChIInChI=1S/C15H23FO2/c1-10(2)7-11(3)9-18-15-6-5-13(12(4)17)8-14(15)16/h5-6,8,10-12,17H,7,9H2,1-4H3
InChIKeyBWBNGPUGHXLFHW-UHFFFAOYSA-N
XLogP3.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-trifluoro-3-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol
CID 113389652
1-(4-butoxy-3-fluorophenyl)ethanol
CID 91636248
(1R)-1-[3-fluoro-4-(4-methoxybutoxy)phenyl]ethanol
CID 104648044
1-[2-fluoro-4-(1-hydroxyethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106991174
1-(3-fluoro-4-phenylmethoxyphenyl)ethanol
CID 115582207
(1S)-1-[3-fluoro-4-(2-methylsulfanylethoxy)phenyl]ethanol
CID 104863655
1-[3-fluoro-4-(3-methylbut-3-enoxy)phenyl]ethanol
CID 114472844
4-[4-(2,4-dimethylpentoxy)-3-fluorophenyl]-2-fluoropyridine
CID 163987326
1-[[2-fluoro-4-(1-hydroxyethyl)phenoxy]methyl]cyclopentan-1-ol
CID 113389597
(1R)-1-[4-(2,4-dimethylpentoxy)-2-fluorophenyl]ethanol
CID 114200318
1-[3-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
CID 103410324
1-[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 115582214

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dimethylpentoxy)-3-fluorophenyl]ethanol?
The IUPAC name of 1-[4-(2,4-dimethylpentoxy)-3-fluorophenyl]ethanol (CID 114200314) is 1-[4-(2,4-dimethylpentoxy)-3-fluorophenyl]ethanol.
What is the SMILES notation for 1-[4-(2,4-dimethylpentoxy)-3-fluorophenyl]ethanol?
The canonical SMILES for 1-[4-(2,4-dimethylpentoxy)-3-fluorophenyl]ethanol is CC(C)CC(C)COc1ccc(C(C)O)cc1F.
What is the InChIKey of 1-[4-(2,4-dimethylpentoxy)-3-fluorophenyl]ethanol?
The InChIKey is BWBNGPUGHXLFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FO2/c1-10(2)7-11(3)9-18-15-6-5-13(12(4)17)8-14(15)16/h5-6,8,10-12,17H,7,9H2,1-4H3.
What are the key properties of 1-[4-(2,4-dimethylpentoxy)-3-fluorophenyl]ethanol?
1-[4-(2,4-dimethylpentoxy)-3-fluorophenyl]ethanol has a molecular weight of 254.34 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dimethylpentoxy)-3-fluorophenyl]ethanol is sourced from PubChem (CID 114200314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).