(2R)-2-(2-butyl-6-fluorophenoxy)propan-1-ol

C13H19FO2 — CID 59778976

IUPAC(2R)-2-(2-butyl-6-fluorophenoxy)propan-1-ol
SMILESCCCCc1cccc(F)c1O[C@H](C)CO
InChIInChI=1S/C13H19FO2/c1-3-4-6-11-7-5-8-12(14)13(11)16-10(2)9-15/h5,7-8,10,15H,3-4,6,9H2,1-2H3/t10-/m1/s1
InChIKeySYKLWOBYHKSOJB-SNVBAGLBSA-N
MW226.29 g/mol
LogP2.93
Rot. Bonds6

About (2R)-2-(2-butyl-6-fluorophenoxy)propan-1-ol

(2R)-2-(2-butyl-6-fluorophenoxy)propan-1-ol (PubChem CID 59778976) has the molecular formula C13H19FO2 and a molecular weight of 226.29 g/mol. Its IUPAC name is (2R)-2-(2-butyl-6-fluorophenoxy)propan-1-ol.

Molecular Properties

Compound Name(2R)-2-(2-butyl-6-fluorophenoxy)propan-1-ol
PubChem CID59778976
Molecular FormulaC13H19FO2
Molecular Weight226.29 g/mol
Exact Mass226.14
IUPAC Name(2R)-2-(2-butyl-6-fluorophenoxy)propan-1-ol
SMILESCCCCc1cccc(F)c1O[C@H](C)CO
InChIInChI=1S/C13H19FO2/c1-3-4-6-11-7-5-8-12(14)13(11)16-10(2)9-15/h5,7-8,10,15H,3-4,6,9H2,1-2H3/t10-/m1/s1
InChIKeySYKLWOBYHKSOJB-SNVBAGLBSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(3-aminopropyl)-6-propylphenoxy]propan-1-ol
CID 145498859
(3-fluoro-2-pentan-2-yloxyphenyl)methanol
CID 107892337
2-(2-butyl-6-fluorophenoxy)ethanol
CID 58241999
1-(3-fluoro-2-pentan-2-yloxyphenyl)propan-2-amine
CID 114012797
2-[2,6-di(nonyl)phenoxy]propane-1-sulfonic acid
CID 101315826
2-(2,6-diheptylphenoxy)propane-1-sulfonic acid
CID 101315517
ethyl 2-[2-fluoro-6-(hydroxymethyl)phenoxy]propanoate
CID 112613216
(3-fluoro-2-heptoxyphenyl)methanol
CID 112612964
2-(3-fluoro-2-pentoxyphenyl)ethanamine
CID 112615154
1-(2-fluoro-6-pentylphenyl)-2-methylpropan-1-ol
CID 23213545
1-fluoro-5-propylnaphthalene
CID 143275008
1-(3-fluoro-2-octan-2-yloxyphenyl)ethanone
CID 114058524

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-butyl-6-fluorophenoxy)propan-1-ol?
The IUPAC name of (2R)-2-(2-butyl-6-fluorophenoxy)propan-1-ol (CID 59778976) is (2R)-2-(2-butyl-6-fluorophenoxy)propan-1-ol.
What is the SMILES notation for (2R)-2-(2-butyl-6-fluorophenoxy)propan-1-ol?
The canonical SMILES for (2R)-2-(2-butyl-6-fluorophenoxy)propan-1-ol is CCCCc1cccc(F)c1O[C@H](C)CO.
What is the InChIKey of (2R)-2-(2-butyl-6-fluorophenoxy)propan-1-ol?
The InChIKey is SYKLWOBYHKSOJB-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19FO2/c1-3-4-6-11-7-5-8-12(14)13(11)16-10(2)9-15/h5,7-8,10,15H,3-4,6,9H2,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-2-(2-butyl-6-fluorophenoxy)propan-1-ol?
(2R)-2-(2-butyl-6-fluorophenoxy)propan-1-ol has a molecular weight of 226.29 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-butyl-6-fluorophenoxy)propan-1-ol is sourced from PubChem (CID 59778976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).