(2,5-difluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol

C15H20F2O2 — CID 114622030

IUPAC(2,5-difluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
SMILESCC1(C)CC(C(O)c2cc(F)ccc2F)C(C)(C)O1
InChIInChI=1S/C15H20F2O2/c1-14(2)8-11(15(3,4)19-14)13(18)10-7-9(16)5-6-12(10)17/h5-7,11,13,18H,8H2,1-4H3
InChIKeyMVMKXQDFOOSKAE-UHFFFAOYSA-N
MW270.32 g/mol
LogP3.59
Rot. Bonds2

About (2,5-difluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol

(2,5-difluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol (PubChem CID 114622030) has the molecular formula C15H20F2O2 and a molecular weight of 270.32 g/mol. Its IUPAC name is (2,5-difluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol.

Molecular Properties

Compound Name(2,5-difluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
PubChem CID114622030
Molecular FormulaC15H20F2O2
Molecular Weight270.32 g/mol
Exact Mass270.14
IUPAC Name(2,5-difluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
SMILESCC1(C)CC(C(O)c2cc(F)ccc2F)C(C)(C)O1
InChIInChI=1S/C15H20F2O2/c1-14(2)8-11(15(3,4)19-14)13(18)10-7-9(16)5-6-12(10)17/h5-7,11,13,18H,8H2,1-4H3
InChIKeyMVMKXQDFOOSKAE-UHFFFAOYSA-N
XLogP3.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-fluoro-4-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622719
(2-amino-4-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622632
(5-fluoro-2-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114622974
(2,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622010
(2,3-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622019
(2-bromo-6-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114885572
(2-cyclopropylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622122
2-(2,6-difluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
CID 115838834
(1R)-1-[5-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol
CID 104940321
(5-bromo-2-fluorophenyl)-(2,2-dimethylcyclopropyl)methanol
CID 107005403
quinoxalin-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 107357753
(2,4-difluoro-5-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052755

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The IUPAC name of (2,5-difluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol (CID 114622030) is (2,5-difluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol.
What is the SMILES notation for (2,5-difluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The canonical SMILES for (2,5-difluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol is CC1(C)CC(C(O)c2cc(F)ccc2F)C(C)(C)O1.
What is the InChIKey of (2,5-difluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The InChIKey is MVMKXQDFOOSKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2O2/c1-14(2)8-11(15(3,4)19-14)13(18)10-7-9(16)5-6-12(10)17/h5-7,11,13,18H,8H2,1-4H3.
What are the key properties of (2,5-difluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
(2,5-difluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol has a molecular weight of 270.32 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol is sourced from PubChem (CID 114622030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).