1-[4-(difluoromethoxy)-3-(oxolan-3-yloxy)phenyl]-2,2-dimethylpropan-1-ol

C16H22F2O4 — CID 25178116

IUPAC1-[4-(difluoromethoxy)-3-(oxolan-3-yloxy)phenyl]-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)C(O)c1ccc(OC(F)F)c(OC2CCOC2)c1
InChIInChI=1S/C16H22F2O4/c1-16(2,3)14(19)10-4-5-12(22-15(17)18)13(8-10)21-11-6-7-20-9-11/h4-5,8,11,14-15,19H,6-7,9H2,1-3H3
InChIKeyTURLSWFELKQVFX-UHFFFAOYSA-N
MW316.34 g/mol
LogP3.54
Rot. Bonds5

About 1-[4-(difluoromethoxy)-3-(oxolan-3-yloxy)phenyl]-2,2-dimethylpropan-1-ol

1-[4-(difluoromethoxy)-3-(oxolan-3-yloxy)phenyl]-2,2-dimethylpropan-1-ol (PubChem CID 25178116) has the molecular formula C16H22F2O4 and a molecular weight of 316.34 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)-3-(oxolan-3-yloxy)phenyl]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)-3-(oxolan-3-yloxy)phenyl]-2,2-dimethylpropan-1-ol
PubChem CID25178116
Molecular FormulaC16H22F2O4
Molecular Weight316.34 g/mol
Exact Mass316.15
IUPAC Name1-[4-(difluoromethoxy)-3-(oxolan-3-yloxy)phenyl]-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)C(O)c1ccc(OC(F)F)c(OC2CCOC2)c1
InChIInChI=1S/C16H22F2O4/c1-16(2,3)14(19)10-4-5-12(22-15(17)18)13(8-10)21-11-6-7-20-9-11/h4-5,8,11,14-15,19H,6-7,9H2,1-3H3
InChIKeyTURLSWFELKQVFX-UHFFFAOYSA-N
XLogP3.54
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(difluoromethoxy)-4-methoxyphenyl]-(oxan-3-yl)methanol
CID 107135528
(1R)-1-[3-fluoro-4-(oxolan-3-yloxy)phenyl]ethanamine
CID 63558652
1-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-3-phenylpropan-1-ol
CID 25178114
bis[4-methoxy-3-(oxolan-3-yloxy)phenyl]methanone
CID 57156728
(1R)-1-[3-methoxy-4-(oxan-3-yloxy)phenyl]ethanol
CID 107135071
3-[3-methoxy-4-(oxolan-3-yloxy)phenyl]butanal
CID 117415121
2-[3-[4-(difluoromethoxy)-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]acetic acid
CID 58883402
(1R)-1-[3-bromo-4-(oxolan-3-yloxy)phenyl]ethanamine
CID 78945077
(1R)-1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]ethanol
CID 63557560
2-[3-methoxy-4-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115005127
3-(4-fluoro-2-propan-2-ylphenoxy)oxolane
CID 164786398
1-[2-(oxolan-3-yloxy)phenyl]ethanol
CID 63558983

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)-3-(oxolan-3-yloxy)phenyl]-2,2-dimethylpropan-1-ol?
The IUPAC name of 1-[4-(difluoromethoxy)-3-(oxolan-3-yloxy)phenyl]-2,2-dimethylpropan-1-ol (CID 25178116) is 1-[4-(difluoromethoxy)-3-(oxolan-3-yloxy)phenyl]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 1-[4-(difluoromethoxy)-3-(oxolan-3-yloxy)phenyl]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 1-[4-(difluoromethoxy)-3-(oxolan-3-yloxy)phenyl]-2,2-dimethylpropan-1-ol is CC(C)(C)C(O)c1ccc(OC(F)F)c(OC2CCOC2)c1.
What is the InChIKey of 1-[4-(difluoromethoxy)-3-(oxolan-3-yloxy)phenyl]-2,2-dimethylpropan-1-ol?
The InChIKey is TURLSWFELKQVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2O4/c1-16(2,3)14(19)10-4-5-12(22-15(17)18)13(8-10)21-11-6-7-20-9-11/h4-5,8,11,14-15,19H,6-7,9H2,1-3H3.
What are the key properties of 1-[4-(difluoromethoxy)-3-(oxolan-3-yloxy)phenyl]-2,2-dimethylpropan-1-ol?
1-[4-(difluoromethoxy)-3-(oxolan-3-yloxy)phenyl]-2,2-dimethylpropan-1-ol has a molecular weight of 316.34 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)-3-(oxolan-3-yloxy)phenyl]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 25178116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).