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

C14H21FO2 — CID 107719914

IUPAC(1R)-1-[4-(3,3-dimethylbutoxy)-2-fluorophenyl]ethanol
SMILESC[C@@H](O)c1ccc(OCCC(C)(C)C)cc1F
InChIInChI=1S/C14H21FO2/c1-10(16)12-6-5-11(9-13(12)15)17-8-7-14(2,3)4/h5-6,9-10,16H,7-8H2,1-4H3/t10-/m1/s1
InChIKeyVEJQCNCKQATXGE-SNVBAGLBSA-N
MW240.32 g/mol
LogP3.69
Rot. Bonds4

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

(1R)-1-[4-(3,3-dimethylbutoxy)-2-fluorophenyl]ethanol (PubChem CID 107719914) has the molecular formula C14H21FO2 and a molecular weight of 240.32 g/mol. Its IUPAC name is (1R)-1-[4-(3,3-dimethylbutoxy)-2-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-(3,3-dimethylbutoxy)-2-fluorophenyl]ethanol
PubChem CID107719914
Molecular FormulaC14H21FO2
Molecular Weight240.32 g/mol
Exact Mass240.15
IUPAC Name(1R)-1-[4-(3,3-dimethylbutoxy)-2-fluorophenyl]ethanol
SMILESC[C@@H](O)c1ccc(OCCC(C)(C)C)cc1F
InChIInChI=1S/C14H21FO2/c1-10(16)12-6-5-11(9-13(12)15)17-8-7-14(2,3)4/h5-6,9-10,16H,7-8H2,1-4H3/t10-/m1/s1
InChIKeyVEJQCNCKQATXGE-SNVBAGLBSA-N
XLogP3.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-4-propoxyphenyl)ethanol
CID 107719521
5-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]-2,2-dimethylpentanenitrile
CID 107720244
1-[3-fluoro-4-(1-hydroxyethyl)phenoxy]-3,3-dimethylbutan-2-ol
CID 114265291
1-[4-[2-(4-bromophenoxy)ethoxy]-2-fluorophenyl]ethanol
CID 107719528
(1R)-1-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]ethanol
CID 107720300
1-[2-fluoro-4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol
CID 107719630
(1R)-1-[4-(4,4-dimethylpentoxy)-2-fluorophenyl]ethanamine
CID 114209341
1-[4-(3-ethoxypropoxy)-2-fluorophenyl]ethanol
CID 107719818
(1S)-1-[4-(2-ethylsulfanylethoxy)-2-fluorophenyl]ethanol
CID 107720663
4-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-2-methylbutan-2-ol
CID 107718883
(1R)-1-[2-fluoro-4-(methoxymethoxy)phenyl]ethanol
CID 107720039
1-[4-(3-ethylsulfanylpropoxy)-2-fluorophenyl]ethanol
CID 107719614

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(3,3-dimethylbutoxy)-2-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[4-(3,3-dimethylbutoxy)-2-fluorophenyl]ethanol (CID 107719914) is (1R)-1-[4-(3,3-dimethylbutoxy)-2-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-(3,3-dimethylbutoxy)-2-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[4-(3,3-dimethylbutoxy)-2-fluorophenyl]ethanol is C[C@@H](O)c1ccc(OCCC(C)(C)C)cc1F.
What is the InChIKey of (1R)-1-[4-(3,3-dimethylbutoxy)-2-fluorophenyl]ethanol?
The InChIKey is VEJQCNCKQATXGE-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H21FO2/c1-10(16)12-6-5-11(9-13(12)15)17-8-7-14(2,3)4/h5-6,9-10,16H,7-8H2,1-4H3/t10-/m1/s1.
What are the key properties of (1R)-1-[4-(3,3-dimethylbutoxy)-2-fluorophenyl]ethanol?
(1R)-1-[4-(3,3-dimethylbutoxy)-2-fluorophenyl]ethanol has a molecular weight of 240.32 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(3,3-dimethylbutoxy)-2-fluorophenyl]ethanol is sourced from PubChem (CID 107719914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).