(4-fluoro-2,6-dimethylphenyl)-(oxolan-2-yl)methanol

C13H17FO2 — CID 106879508

IUPAC(4-fluoro-2,6-dimethylphenyl)-(oxolan-2-yl)methanol
SMILESCc1cc(F)cc(C)c1C(O)C1CCCO1
InChIInChI=1S/C13H17FO2/c1-8-6-10(14)7-9(2)12(8)13(15)11-4-3-5-16-11/h6-7,11,13,15H,3-5H2,1-2H3
InChIKeyFEWSOYRXIASVPB-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.65
Rot. Bonds2

About (4-fluoro-2,6-dimethylphenyl)-(oxolan-2-yl)methanol

(4-fluoro-2,6-dimethylphenyl)-(oxolan-2-yl)methanol (PubChem CID 106879508) has the molecular formula C13H17FO2 and a molecular weight of 224.27 g/mol. Its IUPAC name is (4-fluoro-2,6-dimethylphenyl)-(oxolan-2-yl)methanol.

Molecular Properties

Compound Name(4-fluoro-2,6-dimethylphenyl)-(oxolan-2-yl)methanol
PubChem CID106879508
Molecular FormulaC13H17FO2
Molecular Weight224.27 g/mol
Exact Mass224.12
IUPAC Name(4-fluoro-2,6-dimethylphenyl)-(oxolan-2-yl)methanol
SMILESCc1cc(F)cc(C)c1C(O)C1CCCO1
InChIInChI=1S/C13H17FO2/c1-8-6-10(14)7-9(2)12(8)13(15)11-4-3-5-16-11/h6-7,11,13,15H,3-5H2,1-2H3
InChIKeyFEWSOYRXIASVPB-UHFFFAOYSA-N
XLogP2.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

oxolan-2-yl-(2,3,5,6-tetramethylphenyl)methanol
CID 61086801
(4-fluoro-3,5-dimethylphenyl)-(oxan-2-yl)methanol
CID 65296637
(3,5-dimethylphenyl)-(oxolan-2-yl)methanol
CID 65331478
N-[(4-fluoro-2,6-dimethylphenyl)-(oxan-2-yl)methyl]propan-1-amine
CID 106878787
(4-fluoro-2,6-dimethylphenyl)-(3-methyloxan-4-yl)methanol
CID 114241589
(5-methylfuran-2-yl)-(oxolan-2-yl)methanol
CID 123810880
5-fluoro-7-[hydroxy(oxolan-2-yl)methyl]-3-methyl-1,3-dihydroindol-2-one
CID 82173255
(2,4-difluorophenyl)-(oxan-2-yl)methanol
CID 62214447
(2,5-dibromo-4-methylphenyl)-(oxan-2-yl)methanol
CID 81474176
2-(3,5-difluorophenyl)-1-(oxan-2-yl)ethanol
CID 105412847
2-cyclobutyl-1-(4-fluoro-2,6-dimethylphenyl)ethanol
CID 106879534
1-(4-fluoro-2,6-dimethylphenyl)-3-(oxan-2-yl)propan-1-amine
CID 106877357

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2,6-dimethylphenyl)-(oxolan-2-yl)methanol?
The IUPAC name of (4-fluoro-2,6-dimethylphenyl)-(oxolan-2-yl)methanol (CID 106879508) is (4-fluoro-2,6-dimethylphenyl)-(oxolan-2-yl)methanol.
What is the SMILES notation for (4-fluoro-2,6-dimethylphenyl)-(oxolan-2-yl)methanol?
The canonical SMILES for (4-fluoro-2,6-dimethylphenyl)-(oxolan-2-yl)methanol is Cc1cc(F)cc(C)c1C(O)C1CCCO1.
What is the InChIKey of (4-fluoro-2,6-dimethylphenyl)-(oxolan-2-yl)methanol?
The InChIKey is FEWSOYRXIASVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO2/c1-8-6-10(14)7-9(2)12(8)13(15)11-4-3-5-16-11/h6-7,11,13,15H,3-5H2,1-2H3.
What are the key properties of (4-fluoro-2,6-dimethylphenyl)-(oxolan-2-yl)methanol?
(4-fluoro-2,6-dimethylphenyl)-(oxolan-2-yl)methanol has a molecular weight of 224.27 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2,6-dimethylphenyl)-(oxolan-2-yl)methanol is sourced from PubChem (CID 106879508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).