1-[(3-fluoro-4-methoxyphenyl)methyl]cyclobutan-1-ol

C12H15FO2 — CID 79080855

IUPAC1-[(3-fluoro-4-methoxyphenyl)methyl]cyclobutan-1-ol
SMILESCOc1ccc(CC2(O)CCC2)cc1F
InChIInChI=1S/C12H15FO2/c1-15-11-4-3-9(7-10(11)13)8-12(14)5-2-6-12/h3-4,7,14H,2,5-6,8H2,1H3
InChIKeyFUDJWUSXJVVLAA-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.29
Rot. Bonds3

About 1-[(3-fluoro-4-methoxyphenyl)methyl]cyclobutan-1-ol

1-[(3-fluoro-4-methoxyphenyl)methyl]cyclobutan-1-ol (PubChem CID 79080855) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is 1-[(3-fluoro-4-methoxyphenyl)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[(3-fluoro-4-methoxyphenyl)methyl]cyclobutan-1-ol
PubChem CID79080855
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name1-[(3-fluoro-4-methoxyphenyl)methyl]cyclobutan-1-ol
SMILESCOc1ccc(CC2(O)CCC2)cc1F
InChIInChI=1S/C12H15FO2/c1-15-11-4-3-9(7-10(11)13)8-12(14)5-2-6-12/h3-4,7,14H,2,5-6,8H2,1H3
InChIKeyFUDJWUSXJVVLAA-UHFFFAOYSA-N
XLogP2.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-ol
CID 65154268
3-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylazetidin-3-ol
CID 83823334
3-ethyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-ol
CID 65149488
1-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylcyclohexan-1-ol
CID 65154167
2-(3-fluoro-4-methoxyphenyl)-1-(1-methoxycyclobutyl)ethanone
CID 116706781
3-[(3-fluoro-4-methoxyphenyl)methyl]-8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-ol
CID 171955064
3-[(3-fluoro-4-methoxyphenyl)methyl]-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-ol
CID 171955063
1-[(3-fluoro-4-methoxyphenyl)methyl]cyclopentane-1-carbonitrile
CID 65377847
1-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol
CID 63932273
4-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]oxan-4-ol
CID 78928791
1-[(3-chloro-4-fluorophenyl)methyl]cyclobutan-1-ol
CID 103039079
1-[(3-cyclobutyloxy-4-methoxyphenyl)methyl]cyclopropan-1-ol
CID 117374029

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)methyl]cyclobutan-1-ol?
The IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)methyl]cyclobutan-1-ol (CID 79080855) is 1-[(3-fluoro-4-methoxyphenyl)methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[(3-fluoro-4-methoxyphenyl)methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[(3-fluoro-4-methoxyphenyl)methyl]cyclobutan-1-ol is COc1ccc(CC2(O)CCC2)cc1F.
What is the InChIKey of 1-[(3-fluoro-4-methoxyphenyl)methyl]cyclobutan-1-ol?
The InChIKey is FUDJWUSXJVVLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2/c1-15-11-4-3-9(7-10(11)13)8-12(14)5-2-6-12/h3-4,7,14H,2,5-6,8H2,1H3.
What are the key properties of 1-[(3-fluoro-4-methoxyphenyl)methyl]cyclobutan-1-ol?
1-[(3-fluoro-4-methoxyphenyl)methyl]cyclobutan-1-ol has a molecular weight of 210.25 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-4-methoxyphenyl)methyl]cyclobutan-1-ol is sourced from PubChem (CID 79080855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).