2-[2-(cyclobutylmethoxy)-5-fluorophenyl]propan-2-ol

C14H19FO2 — CID 84700745

IUPAC2-[2-(cyclobutylmethoxy)-5-fluorophenyl]propan-2-ol
SMILESCC(C)(O)c1cc(F)ccc1OCC1CCC1
InChIInChI=1S/C14H19FO2/c1-14(2,16)12-8-11(15)6-7-13(12)17-9-10-4-3-5-10/h6-8,10,16H,3-5,9H2,1-2H3
InChIKeyAYSPTDAJTDJQAI-UHFFFAOYSA-N
MW238.30 g/mol
LogP3.23
Rot. Bonds4

About 2-[2-(cyclobutylmethoxy)-5-fluorophenyl]propan-2-ol

2-[2-(cyclobutylmethoxy)-5-fluorophenyl]propan-2-ol (PubChem CID 84700745) has the molecular formula C14H19FO2 and a molecular weight of 238.30 g/mol. Its IUPAC name is 2-[2-(cyclobutylmethoxy)-5-fluorophenyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(cyclobutylmethoxy)-5-fluorophenyl]propan-2-ol
PubChem CID84700745
Molecular FormulaC14H19FO2
Molecular Weight238.30 g/mol
Exact Mass238.14
IUPAC Name2-[2-(cyclobutylmethoxy)-5-fluorophenyl]propan-2-ol
SMILESCC(C)(O)c1cc(F)ccc1OCC1CCC1
InChIInChI=1S/C14H19FO2/c1-14(2,16)12-8-11(15)6-7-13(12)17-9-10-4-3-5-10/h6-8,10,16H,3-5,9H2,1-2H3
InChIKeyAYSPTDAJTDJQAI-UHFFFAOYSA-N
XLogP3.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(cyclobutylmethoxy)-4-fluorophenyl]ethanol
CID 65459898
2-[5-chloro-2-(cyclopropylmethoxy)phenyl]propan-2-ol
CID 84702232
(1S)-1-[2-(cyclopropylmethoxy)-4-fluorophenyl]ethanol
CID 78932472
2-[2-(cyclobutylmethoxy)-5-fluorophenyl]-2-hydroxyacetic acid
CID 117388525
[2-(cyclohexylmethoxy)-5-fluorophenyl]methanol
CID 107698568
3-amino-3-[2-(cyclobutylmethoxy)-5-fluorophenyl]propanoic acid
CID 117421508
2-(chloromethyl)-1-(cyclohexylmethoxy)-4-fluorobenzene
CID 107698926
4-(cyclobutylmethoxy)-3-(trifluoromethyl)phenol
CID 166611039
N-[[2-(cyclopropylmethoxy)-5-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 107696527
[2-(cyclopropylmethoxy)-5-fluorophenyl]-(3-hydroxy-2,3-dimethylbutan-2-yl)oxyborinic acid
CID 121005344
2-(cyclopropylmethoxy)-4-fluoro-1-propan-2-ylbenzene
CID 145227609
2-(cyclopropylmethoxy)-4-fluoro-1-methylbenzene;propane
CID 162532018

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclobutylmethoxy)-5-fluorophenyl]propan-2-ol?
The IUPAC name of 2-[2-(cyclobutylmethoxy)-5-fluorophenyl]propan-2-ol (CID 84700745) is 2-[2-(cyclobutylmethoxy)-5-fluorophenyl]propan-2-ol.
What is the SMILES notation for 2-[2-(cyclobutylmethoxy)-5-fluorophenyl]propan-2-ol?
The canonical SMILES for 2-[2-(cyclobutylmethoxy)-5-fluorophenyl]propan-2-ol is CC(C)(O)c1cc(F)ccc1OCC1CCC1.
What is the InChIKey of 2-[2-(cyclobutylmethoxy)-5-fluorophenyl]propan-2-ol?
The InChIKey is AYSPTDAJTDJQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO2/c1-14(2,16)12-8-11(15)6-7-13(12)17-9-10-4-3-5-10/h6-8,10,16H,3-5,9H2,1-2H3.
What are the key properties of 2-[2-(cyclobutylmethoxy)-5-fluorophenyl]propan-2-ol?
2-[2-(cyclobutylmethoxy)-5-fluorophenyl]propan-2-ol has a molecular weight of 238.30 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclobutylmethoxy)-5-fluorophenyl]propan-2-ol is sourced from PubChem (CID 84700745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).