1-[[2-(difluoromethoxy)phenoxy]methyl]cyclobutan-1-ol

C12H14F2O3 — CID 167969787

IUPAC1-[[2-(difluoromethoxy)phenoxy]methyl]cyclobutan-1-ol
SMILESOC1(COc2ccccc2OC(F)F)CCC1
InChIInChI=1S/C12H14F2O3/c13-11(14)17-10-5-2-1-4-9(10)16-8-12(15)6-3-7-12/h1-2,4-5,11,15H,3,6-8H2
InChIKeyKHTXUAWFVZFLGI-UHFFFAOYSA-N
MW244.24 g/mol
LogP2.58
Rot. Bonds5

About 1-[[2-(difluoromethoxy)phenoxy]methyl]cyclobutan-1-ol

1-[[2-(difluoromethoxy)phenoxy]methyl]cyclobutan-1-ol (PubChem CID 167969787) has the molecular formula C12H14F2O3 and a molecular weight of 244.24 g/mol. Its IUPAC name is 1-[[2-(difluoromethoxy)phenoxy]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[[2-(difluoromethoxy)phenoxy]methyl]cyclobutan-1-ol
PubChem CID167969787
Molecular FormulaC12H14F2O3
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Name1-[[2-(difluoromethoxy)phenoxy]methyl]cyclobutan-1-ol
SMILESOC1(COc2ccccc2OC(F)F)CCC1
InChIInChI=1S/C12H14F2O3/c13-11(14)17-10-5-2-1-4-9(10)16-8-12(15)6-3-7-12/h1-2,4-5,11,15H,3,6-8H2
InChIKeyKHTXUAWFVZFLGI-UHFFFAOYSA-N
XLogP2.58
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(difluoromethoxy)phenyl]methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430390
N-[2-(difluoromethoxy)phenyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111331721
1-[(2-propan-2-ylphenoxy)methyl]cyclopentan-1-ol
CID 65213064
1-[[2-(trifluoromethyl)phenoxy]methyl]cyclohexan-1-ol
CID 65213996
1-[2-(difluoromethoxy)phenyl]cyclopropan-1-ol
CID 117289125
1-[(2-phenylphenoxy)methyl]cyclopentan-1-ol
CID 65212411
1-[(2,3-dimethylphenoxy)methyl]cyclobutan-1-ol
CID 155896822
1-(cyclopropylmethoxy)-2-(difluoromethoxy)benzene
CID 54215709
N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111540945
1-[[2-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol
CID 65208309
1-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]methyl]cyclopentan-1-ol
CID 111114413
2-[(1-hydroxycyclohexyl)methoxy]benzamide
CID 65213697

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(difluoromethoxy)phenoxy]methyl]cyclobutan-1-ol?
The IUPAC name of 1-[[2-(difluoromethoxy)phenoxy]methyl]cyclobutan-1-ol (CID 167969787) is 1-[[2-(difluoromethoxy)phenoxy]methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[[2-(difluoromethoxy)phenoxy]methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[[2-(difluoromethoxy)phenoxy]methyl]cyclobutan-1-ol is OC1(COc2ccccc2OC(F)F)CCC1.
What is the InChIKey of 1-[[2-(difluoromethoxy)phenoxy]methyl]cyclobutan-1-ol?
The InChIKey is KHTXUAWFVZFLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O3/c13-11(14)17-10-5-2-1-4-9(10)16-8-12(15)6-3-7-12/h1-2,4-5,11,15H,3,6-8H2.
What are the key properties of 1-[[2-(difluoromethoxy)phenoxy]methyl]cyclobutan-1-ol?
1-[[2-(difluoromethoxy)phenoxy]methyl]cyclobutan-1-ol has a molecular weight of 244.24 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(difluoromethoxy)phenoxy]methyl]cyclobutan-1-ol is sourced from PubChem (CID 167969787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).