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

C15H23FO2 — CID 114200318

IUPAC(1R)-1-[4-(2,4-dimethylpentoxy)-2-fluorophenyl]ethanol
SMILESCC(C)CC(C)COc1ccc([C@@H](C)O)c(F)c1
InChIInChI=1S/C15H23FO2/c1-10(2)7-11(3)9-18-13-5-6-14(12(4)17)15(16)8-13/h5-6,8,10-12,17H,7,9H2,1-4H3/t11?,12-/m1/s1
InChIKeyYQDDGIPBJKYMHK-PIJUOVFKSA-N
MW254.34 g/mol
LogP3.94
Rot. Bonds6

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

(1R)-1-[4-(2,4-dimethylpentoxy)-2-fluorophenyl]ethanol (PubChem CID 114200318) has the molecular formula C15H23FO2 and a molecular weight of 254.34 g/mol. Its IUPAC name is (1R)-1-[4-(2,4-dimethylpentoxy)-2-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-(2,4-dimethylpentoxy)-2-fluorophenyl]ethanol
PubChem CID114200318
Molecular FormulaC15H23FO2
Molecular Weight254.34 g/mol
Exact Mass254.17
IUPAC Name(1R)-1-[4-(2,4-dimethylpentoxy)-2-fluorophenyl]ethanol
SMILESCC(C)CC(C)COc1ccc([C@@H](C)O)c(F)c1
InChIInChI=1S/C15H23FO2/c1-10(2)7-11(3)9-18-13-5-6-14(12(4)17)15(16)8-13/h5-6,8,10-12,17H,7,9H2,1-4H3/t11?,12-/m1/s1
InChIKeyYQDDGIPBJKYMHK-PIJUOVFKSA-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-[3-fluoro-4-(1-hydroxyethyl)phenoxy]-3,3-dimethylbutan-2-ol
CID 114265291
(1R)-1-[2-fluoro-4-(methoxymethoxy)phenyl]ethanol
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1-(2-fluoro-4-propoxyphenyl)ethanol
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(1R)-1-(2-fluoro-4-prop-2-enoxyphenyl)ethanol
CID 107719948
1-[2-fluoro-4-(2-methylprop-2-enoxy)phenyl]ethanol
CID 107719530
(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
1-[4-(3-ethoxypropoxy)-2-fluorophenyl]ethanol
CID 107719818
(1R)-1-[2-fluoro-4-(pyrimidin-2-ylmethoxy)phenyl]ethanol
CID 107720035
(1R)-1-[2-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanol
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(1R)-1-[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanol
CID 107719922

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(2,4-dimethylpentoxy)-2-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[4-(2,4-dimethylpentoxy)-2-fluorophenyl]ethanol (CID 114200318) is (1R)-1-[4-(2,4-dimethylpentoxy)-2-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-(2,4-dimethylpentoxy)-2-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[4-(2,4-dimethylpentoxy)-2-fluorophenyl]ethanol is CC(C)CC(C)COc1ccc([C@@H](C)O)c(F)c1.
What is the InChIKey of (1R)-1-[4-(2,4-dimethylpentoxy)-2-fluorophenyl]ethanol?
The InChIKey is YQDDGIPBJKYMHK-PIJUOVFKSA-N. The full InChI is InChI=1S/C15H23FO2/c1-10(2)7-11(3)9-18-13-5-6-14(12(4)17)15(16)8-13/h5-6,8,10-12,17H,7,9H2,1-4H3/t11?,12-/m1/s1.
What are the key properties of (1R)-1-[4-(2,4-dimethylpentoxy)-2-fluorophenyl]ethanol?
(1R)-1-[4-(2,4-dimethylpentoxy)-2-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 (1R)-1-[4-(2,4-dimethylpentoxy)-2-fluorophenyl]ethanol is sourced from PubChem (CID 114200318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).