2-[(4-fluorophenoxy)methyl]-4,4-dimethylpentan-1-ol

C14H21FO2 — CID 117241976

IUPAC2-[(4-fluorophenoxy)methyl]-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)CC(CO)COc1ccc(F)cc1
InChIInChI=1S/C14H21FO2/c1-14(2,3)8-11(9-16)10-17-13-6-4-12(15)5-7-13/h4-7,11,16H,8-10H2,1-3H3
InChIKeyKSADGDIPEFLPNG-UHFFFAOYSA-N
MW240.32 g/mol
LogP3.25
Rot. Bonds5

About 2-[(4-fluorophenoxy)methyl]-4,4-dimethylpentan-1-ol

2-[(4-fluorophenoxy)methyl]-4,4-dimethylpentan-1-ol (PubChem CID 117241976) has the molecular formula C14H21FO2 and a molecular weight of 240.32 g/mol. Its IUPAC name is 2-[(4-fluorophenoxy)methyl]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name2-[(4-fluorophenoxy)methyl]-4,4-dimethylpentan-1-ol
PubChem CID117241976
Molecular FormulaC14H21FO2
Molecular Weight240.32 g/mol
Exact Mass240.15
IUPAC Name2-[(4-fluorophenoxy)methyl]-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)CC(CO)COc1ccc(F)cc1
InChIInChI=1S/C14H21FO2/c1-14(2,3)8-11(9-16)10-17-13-6-4-12(15)5-7-13/h4-7,11,16H,8-10H2,1-3H3
InChIKeyKSADGDIPEFLPNG-UHFFFAOYSA-N
XLogP3.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[(4-fluorophenoxy)methyl]-4,4-dimethylpentanoate
CID 117242234
4,4-dimethyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pentan-1-ol
CID 117241893
1,3-bis(4-fluorophenoxy)propan-2-ol
CID 109412822
(2R)-2-[(4-fluorophenoxy)methyl]-4-[(2S)-oxiran-2-yl]butan-1-ol
CID 129389369
2-[[4-(hydroxymethyl)phenoxy]methyl]propane-1,3-diol
CID 175332290
4-[2-(hydroxymethyl)butoxy]phenol
CID 117241981
1-(4-fluorophenoxy)-3-methoxypropan-2-ol
CID 86691234
1-(4-fluorophenoxy)-3-(1-hydroxypropan-2-ylamino)propan-2-ol
CID 60909045
2-[[4-(trifluoromethyl)phenoxy]methyl]butane-1,4-diol
CID 117236902
4,4-dimethyl-1-[4-(trifluoromethyl)phenoxy]pentan-2-ol
CID 117241739
1-(4-fluorophenoxy)-4-methylpentan-2-ol
CID 117241745
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(4-iodophenoxy)propan-1-ol
CID 66956755

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenoxy)methyl]-4,4-dimethylpentan-1-ol?
The IUPAC name of 2-[(4-fluorophenoxy)methyl]-4,4-dimethylpentan-1-ol (CID 117241976) is 2-[(4-fluorophenoxy)methyl]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 2-[(4-fluorophenoxy)methyl]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 2-[(4-fluorophenoxy)methyl]-4,4-dimethylpentan-1-ol is CC(C)(C)CC(CO)COc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenoxy)methyl]-4,4-dimethylpentan-1-ol?
The InChIKey is KSADGDIPEFLPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FO2/c1-14(2,3)8-11(9-16)10-17-13-6-4-12(15)5-7-13/h4-7,11,16H,8-10H2,1-3H3.
What are the key properties of 2-[(4-fluorophenoxy)methyl]-4,4-dimethylpentan-1-ol?
2-[(4-fluorophenoxy)methyl]-4,4-dimethylpentan-1-ol has a molecular weight of 240.32 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenoxy)methyl]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 117241976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).