1-(4-fluorophenoxy)-4-methylpentan-2-ol

C12H17FO2 — CID 117241745

IUPAC1-(4-fluorophenoxy)-4-methylpentan-2-ol
SMILESCC(C)CC(O)COc1ccc(F)cc1
InChIInChI=1S/C12H17FO2/c1-9(2)7-11(14)8-15-12-5-3-10(13)4-6-12/h3-6,9,11,14H,7-8H2,1-2H3
InChIKeyBHHYORORVMGWIZ-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.61
Rot. Bonds5

About 1-(4-fluorophenoxy)-4-methylpentan-2-ol

1-(4-fluorophenoxy)-4-methylpentan-2-ol (PubChem CID 117241745) has the molecular formula C12H17FO2 and a molecular weight of 212.26 g/mol. Its IUPAC name is 1-(4-fluorophenoxy)-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenoxy)-4-methylpentan-2-ol
PubChem CID117241745
Molecular FormulaC12H17FO2
Molecular Weight212.26 g/mol
Exact Mass212.12
IUPAC Name1-(4-fluorophenoxy)-4-methylpentan-2-ol
SMILESCC(C)CC(O)COc1ccc(F)cc1
InChIInChI=1S/C12H17FO2/c1-9(2)7-11(14)8-15-12-5-3-10(13)4-6-12/h3-6,9,11,14H,7-8H2,1-2H3
InChIKeyBHHYORORVMGWIZ-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis(4-fluorophenoxy)propan-2-ol
CID 109412822
1-(4-fluorophenoxy)-3-methoxypropan-2-ol
CID 86691234
(2S)-4-methyl-1-(4-nitrophenoxy)pentan-2-ol
CID 139311755
(2R,3R,12R)-13-(4-fluorophenoxy)tridecane-2,3,12-triol
CID 141205651
1-(4-fluorophenoxy)-3-(1-hydroxypropan-2-ylamino)propan-2-ol
CID 60909045
4-(4-fluorophenoxy)-3-hydroxybutanoic acid
CID 22564574
(2R)-1-(4-fluoroanilino)-3-[4-[(2R)-3-(4-fluoroanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1377310
1-(4-fluorophenoxy)-3-(4-methyltriazol-1-yl)propan-2-ol
CID 138020565
2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide
CID 60909218
2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-methylpropanamide
CID 61464487
(2R)-1-(4-fluorophenoxy)-3-methylbutan-2-amine
CID 96818001
(2R)-1-(1,3-benzodioxol-5-yloxy)-4-methylpentan-2-ol
CID 164702579

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenoxy)-4-methylpentan-2-ol?
The IUPAC name of 1-(4-fluorophenoxy)-4-methylpentan-2-ol (CID 117241745) is 1-(4-fluorophenoxy)-4-methylpentan-2-ol.
What is the SMILES notation for 1-(4-fluorophenoxy)-4-methylpentan-2-ol?
The canonical SMILES for 1-(4-fluorophenoxy)-4-methylpentan-2-ol is CC(C)CC(O)COc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenoxy)-4-methylpentan-2-ol?
The InChIKey is BHHYORORVMGWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO2/c1-9(2)7-11(14)8-15-12-5-3-10(13)4-6-12/h3-6,9,11,14H,7-8H2,1-2H3.
What are the key properties of 1-(4-fluorophenoxy)-4-methylpentan-2-ol?
1-(4-fluorophenoxy)-4-methylpentan-2-ol has a molecular weight of 212.26 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenoxy)-4-methylpentan-2-ol is sourced from PubChem (CID 117241745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).