4-(4-fluoro-2-hydroxyphenyl)oxan-4-ol

C11H13FO3 — CID 117104442

IUPAC4-(4-fluoro-2-hydroxyphenyl)oxan-4-ol
SMILESOc1cc(F)ccc1C1(O)CCOCC1
InChIInChI=1S/C11H13FO3/c12-8-1-2-9(10(13)7-8)11(14)3-5-15-6-4-11/h1-2,7,13-14H,3-6H2
InChIKeyTZECSEXQWISEAL-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.53
Rot. Bonds1

About 4-(4-fluoro-2-hydroxyphenyl)oxan-4-ol

4-(4-fluoro-2-hydroxyphenyl)oxan-4-ol (PubChem CID 117104442) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is 4-(4-fluoro-2-hydroxyphenyl)oxan-4-ol.

Molecular Properties

Compound Name4-(4-fluoro-2-hydroxyphenyl)oxan-4-ol
PubChem CID117104442
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name4-(4-fluoro-2-hydroxyphenyl)oxan-4-ol
SMILESOc1cc(F)ccc1C1(O)CCOCC1
InChIInChI=1S/C11H13FO3/c12-8-1-2-9(10(13)7-8)11(14)3-5-15-6-4-11/h1-2,7,13-14H,3-6H2
InChIKeyTZECSEXQWISEAL-UHFFFAOYSA-N
XLogP1.53
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-fluorophenyl)oxan-4-ol
CID 63220717
3-(5-fluoro-2-methylphenyl)oxolan-3-ol
CID 63331828
5-fluoro-1-(oxan-4-yl)-2,3-dihydroinden-1-ol
CID 116531788
1-(4-fluoro-2-hydroxyphenyl)cyclopropane-1-carbonitrile
CID 84767283
4-(1-hydroxycyclopentyl)benzene-1,3-diol
CID 117104157
4-(2,4-difluorophenyl)oxane-4-carboxylic acid
CID 64561177
4-(2-fluoro-5-methoxyphenyl)oxan-4-ol
CID 171367710
4-(4-bromo-2-methylphenyl)oxan-4-ol
CID 171367092
1-(4-fluoro-2-methylphenyl)cyclobutan-1-ol
CID 79081119
4-(2-chloro-4-fluorophenyl)oxane-4-carboxylic acid
CID 63033334
4-(2,5-dichlorophenyl)oxan-4-ol
CID 63220164
4-(2,4-difluorophenyl)piperidin-4-ol
CID 62801689

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-hydroxyphenyl)oxan-4-ol?
The IUPAC name of 4-(4-fluoro-2-hydroxyphenyl)oxan-4-ol (CID 117104442) is 4-(4-fluoro-2-hydroxyphenyl)oxan-4-ol.
What is the SMILES notation for 4-(4-fluoro-2-hydroxyphenyl)oxan-4-ol?
The canonical SMILES for 4-(4-fluoro-2-hydroxyphenyl)oxan-4-ol is Oc1cc(F)ccc1C1(O)CCOCC1.
What is the InChIKey of 4-(4-fluoro-2-hydroxyphenyl)oxan-4-ol?
The InChIKey is TZECSEXQWISEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c12-8-1-2-9(10(13)7-8)11(14)3-5-15-6-4-11/h1-2,7,13-14H,3-6H2.
What are the key properties of 4-(4-fluoro-2-hydroxyphenyl)oxan-4-ol?
4-(4-fluoro-2-hydroxyphenyl)oxan-4-ol has a molecular weight of 212.22 g/mol, XLogP of 1.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-hydroxyphenyl)oxan-4-ol is sourced from PubChem (CID 117104442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).