1-[2-(cyclobutylmethoxy)-4-fluorophenyl]ethanol

C13H17FO2 — CID 65459898

IUPAC1-[2-(cyclobutylmethoxy)-4-fluorophenyl]ethanol
SMILESCC(O)c1ccc(F)cc1OCC1CCC1
InChIInChI=1S/C13H17FO2/c1-9(15)12-6-5-11(14)7-13(12)16-8-10-3-2-4-10/h5-7,9-10,15H,2-4,8H2,1H3
InChIKeyKHRYPXVPSDOHJQ-UHFFFAOYSA-N
MW224.28 g/mol
LogP3.06
Rot. Bonds4

About 1-[2-(cyclobutylmethoxy)-4-fluorophenyl]ethanol

1-[2-(cyclobutylmethoxy)-4-fluorophenyl]ethanol (PubChem CID 65459898) has the molecular formula C13H17FO2 and a molecular weight of 224.28 g/mol. Its IUPAC name is 1-[2-(cyclobutylmethoxy)-4-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[2-(cyclobutylmethoxy)-4-fluorophenyl]ethanol
PubChem CID65459898
Molecular FormulaC13H17FO2
Molecular Weight224.28 g/mol
Exact Mass224.12
IUPAC Name1-[2-(cyclobutylmethoxy)-4-fluorophenyl]ethanol
SMILESCC(O)c1ccc(F)cc1OCC1CCC1
InChIInChI=1S/C13H17FO2/c1-9(15)12-6-5-11(14)7-13(12)16-8-10-3-2-4-10/h5-7,9-10,15H,2-4,8H2,1H3
InChIKeyKHRYPXVPSDOHJQ-UHFFFAOYSA-N
XLogP3.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-(cyclopropylmethoxy)-4-fluorophenyl]ethanol
CID 78932472
(1S)-1-[2-(cyclobutylmethoxy)-4-methylphenyl]ethanol
CID 79008660
2-(cyclopropylmethoxy)-4-fluoro-1-propan-2-ylbenzene
CID 145227609
1-[4-bromo-2-(cyclopentylmethoxy)phenyl]ethanol
CID 102948328
2-[2-(cyclobutylmethoxy)-5-fluorophenyl]propan-2-ol
CID 84700745
(1R)-1-[4-fluoro-2-(oxan-2-ylmethoxy)phenyl]ethanol
CID 63365868
1-(2-cyclohexyloxy-4-fluorophenyl)ethanol
CID 63067859
(1R)-1-[2-(cyclopropylmethoxy)phenyl]ethanol
CID 63364798
2-[2-(cyclobutylmethoxy)-5-fluorophenyl]-2-hydroxyacetic acid
CID 117388525
N-cyclopentyl-2-[5-fluoro-2-(1-hydroxyethyl)phenoxy]acetamide
CID 63067515
1-[[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]methyl]cyclohexan-1-ol
CID 65214061
(1R)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-fluorophenyl]ethanol
CID 79215568

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclobutylmethoxy)-4-fluorophenyl]ethanol?
The IUPAC name of 1-[2-(cyclobutylmethoxy)-4-fluorophenyl]ethanol (CID 65459898) is 1-[2-(cyclobutylmethoxy)-4-fluorophenyl]ethanol.
What is the SMILES notation for 1-[2-(cyclobutylmethoxy)-4-fluorophenyl]ethanol?
The canonical SMILES for 1-[2-(cyclobutylmethoxy)-4-fluorophenyl]ethanol is CC(O)c1ccc(F)cc1OCC1CCC1.
What is the InChIKey of 1-[2-(cyclobutylmethoxy)-4-fluorophenyl]ethanol?
The InChIKey is KHRYPXVPSDOHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO2/c1-9(15)12-6-5-11(14)7-13(12)16-8-10-3-2-4-10/h5-7,9-10,15H,2-4,8H2,1H3.
What are the key properties of 1-[2-(cyclobutylmethoxy)-4-fluorophenyl]ethanol?
1-[2-(cyclobutylmethoxy)-4-fluorophenyl]ethanol has a molecular weight of 224.28 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclobutylmethoxy)-4-fluorophenyl]ethanol is sourced from PubChem (CID 65459898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).