3-(2-fluoro-4,6-dimethylphenyl)-2-methyloxolan-3-ol

C13H17FO2 — CID 106880528

IUPAC3-(2-fluoro-4,6-dimethylphenyl)-2-methyloxolan-3-ol
SMILESCc1cc(C)c(C2(O)CCOC2C)c(F)c1
InChIInChI=1S/C13H17FO2/c1-8-6-9(2)12(11(14)7-8)13(15)4-5-16-10(13)3/h6-7,10,15H,4-5H2,1-3H3
InChIKeyPIGBHRCJFMWRPE-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.44
Rot. Bonds1

About 3-(2-fluoro-4,6-dimethylphenyl)-2-methyloxolan-3-ol

3-(2-fluoro-4,6-dimethylphenyl)-2-methyloxolan-3-ol (PubChem CID 106880528) has the molecular formula C13H17FO2 and a molecular weight of 224.27 g/mol. Its IUPAC name is 3-(2-fluoro-4,6-dimethylphenyl)-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-(2-fluoro-4,6-dimethylphenyl)-2-methyloxolan-3-ol
PubChem CID106880528
Molecular FormulaC13H17FO2
Molecular Weight224.27 g/mol
Exact Mass224.12
IUPAC Name3-(2-fluoro-4,6-dimethylphenyl)-2-methyloxolan-3-ol
SMILESCc1cc(C)c(C2(O)CCOC2C)c(F)c1
InChIInChI=1S/C13H17FO2/c1-8-6-9(2)12(11(14)7-8)13(15)4-5-16-10(13)3/h6-7,10,15H,4-5H2,1-3H3
InChIKeyPIGBHRCJFMWRPE-UHFFFAOYSA-N
XLogP2.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-4,6-dimethylphenyl)-2,4,4-trimethylcyclohexan-1-ol
CID 106880494
1-(2-fluoro-4,6-dimethylphenyl)-2-propan-2-ylcyclohexan-1-ol
CID 106880524
2-methyl-3-(2,3,4-trifluorophenyl)oxolan-3-ol
CID 82717569
3-(2-fluoro-4,6-dimethylphenyl)-5-methylthiolan-3-ol
CID 106880467
1-(2-fluoro-4,6-dimethylphenyl)cyclopropan-1-amine
CID 84767931
3-(2-fluoro-4,6-dimethylphenyl)thiolan-3-ol
CID 106880466
1-(2-fluoro-4,6-dimethylphenyl)-3-methylcyclohexan-1-amine
CID 106880613
3-(4-methoxy-2-methylphenyl)-2-methyloxolan-3-ol
CID 82718193
3-(furan-3-yl)-2-methyloxolan-3-ol
CID 82719090
3-(4-tert-butylphenyl)-2-methyloxolan-3-ol
CID 82717330
1-(2-fluoro-4,6-dimethylphenyl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429597
4-methyl-2-(2,4,6-trimethylphenyl)oxan-4-ol
CID 16655529

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4,6-dimethylphenyl)-2-methyloxolan-3-ol?
The IUPAC name of 3-(2-fluoro-4,6-dimethylphenyl)-2-methyloxolan-3-ol (CID 106880528) is 3-(2-fluoro-4,6-dimethylphenyl)-2-methyloxolan-3-ol.
What is the SMILES notation for 3-(2-fluoro-4,6-dimethylphenyl)-2-methyloxolan-3-ol?
The canonical SMILES for 3-(2-fluoro-4,6-dimethylphenyl)-2-methyloxolan-3-ol is Cc1cc(C)c(C2(O)CCOC2C)c(F)c1.
What is the InChIKey of 3-(2-fluoro-4,6-dimethylphenyl)-2-methyloxolan-3-ol?
The InChIKey is PIGBHRCJFMWRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO2/c1-8-6-9(2)12(11(14)7-8)13(15)4-5-16-10(13)3/h6-7,10,15H,4-5H2,1-3H3.
What are the key properties of 3-(2-fluoro-4,6-dimethylphenyl)-2-methyloxolan-3-ol?
3-(2-fluoro-4,6-dimethylphenyl)-2-methyloxolan-3-ol has a molecular weight of 224.27 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4,6-dimethylphenyl)-2-methyloxolan-3-ol is sourced from PubChem (CID 106880528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).