1-[4-(difluoromethoxy)phenyl]-4-(oxolan-2-yl)butan-1-ol

C15H20F2O3 — CID 65161859

IUPAC1-[4-(difluoromethoxy)phenyl]-4-(oxolan-2-yl)butan-1-ol
SMILESOC(CCCC1CCCO1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H20F2O3/c16-15(17)20-13-8-6-11(7-9-13)14(18)5-1-3-12-4-2-10-19-12/h6-9,12,14-15,18H,1-5,10H2
InChIKeyCGRVIYPJHSJGLK-UHFFFAOYSA-N
MW286.32 g/mol
LogP3.67
Rot. Bonds7

About 1-[4-(difluoromethoxy)phenyl]-4-(oxolan-2-yl)butan-1-ol

1-[4-(difluoromethoxy)phenyl]-4-(oxolan-2-yl)butan-1-ol (PubChem CID 65161859) has the molecular formula C15H20F2O3 and a molecular weight of 286.32 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-4-(oxolan-2-yl)butan-1-ol.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-4-(oxolan-2-yl)butan-1-ol
PubChem CID65161859
Molecular FormulaC15H20F2O3
Molecular Weight286.32 g/mol
Exact Mass286.14
IUPAC Name1-[4-(difluoromethoxy)phenyl]-4-(oxolan-2-yl)butan-1-ol
SMILESOC(CCCC1CCCO1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H20F2O3/c16-15(17)20-13-8-6-11(7-9-13)14(18)5-1-3-12-4-2-10-19-12/h6-9,12,14-15,18H,1-5,10H2
InChIKeyCGRVIYPJHSJGLK-UHFFFAOYSA-N
XLogP3.67
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65160366
1-[3-(difluoromethoxy)phenyl]-4-(oxolan-2-yl)butan-1-amine
CID 104993455
(1R)-1-[4-(difluoromethoxy)phenyl]-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
CID 124866653
1-[4-(difluoromethoxy)phenyl]-N-methyl-N-(oxolan-2-ylmethyl)ethanamine
CID 71879523
1-(4-chloro-3-fluorophenyl)-4-(oxolan-2-yl)butan-1-ol
CID 65161658
3-(oxolan-2-yl)-1-(4-propoxyphenyl)propan-1-ol
CID 65162391
1-(4-butylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65160664
1-(3-bromo-5-chlorophenyl)-4-(oxolan-2-yl)butan-1-ol
CID 107947559
2-cyclopentyl-1-[4-(difluoromethoxy)phenyl]ethanol
CID 65150469
1-[4-(difluoromethoxy)phenyl]-5-methylhexan-1-ol
CID 83158840
1-(4-methoxyphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 65167486
4-(oxolan-2-yl)-1-quinolin-6-ylbutan-1-ol
CID 65161611

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-4-(oxolan-2-yl)butan-1-ol?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-4-(oxolan-2-yl)butan-1-ol (CID 65161859) is 1-[4-(difluoromethoxy)phenyl]-4-(oxolan-2-yl)butan-1-ol.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-4-(oxolan-2-yl)butan-1-ol?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-4-(oxolan-2-yl)butan-1-ol is OC(CCCC1CCCO1)c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-4-(oxolan-2-yl)butan-1-ol?
The InChIKey is CGRVIYPJHSJGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2O3/c16-15(17)20-13-8-6-11(7-9-13)14(18)5-1-3-12-4-2-10-19-12/h6-9,12,14-15,18H,1-5,10H2.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-4-(oxolan-2-yl)butan-1-ol?
1-[4-(difluoromethoxy)phenyl]-4-(oxolan-2-yl)butan-1-ol has a molecular weight of 286.32 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-4-(oxolan-2-yl)butan-1-ol is sourced from PubChem (CID 65161859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).