3-fluoro-2-(oxan-4-yl)phenol

C11H13FO2 — CID 117104359

IUPAC3-fluoro-2-(oxan-4-yl)phenol
SMILESOc1cccc(F)c1C1CCOCC1
InChIInChI=1S/C11H13FO2/c12-9-2-1-3-10(13)11(9)8-4-6-14-7-5-8/h1-3,8,13H,4-7H2
InChIKeyAHEPJZSXHIGORI-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.43
Rot. Bonds1

About 3-fluoro-2-(oxan-4-yl)phenol

3-fluoro-2-(oxan-4-yl)phenol (PubChem CID 117104359) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 3-fluoro-2-(oxan-4-yl)phenol.

Molecular Properties

Compound Name3-fluoro-2-(oxan-4-yl)phenol
PubChem CID117104359
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Name3-fluoro-2-(oxan-4-yl)phenol
SMILESOc1cccc(F)c1C1CCOCC1
InChIInChI=1S/C11H13FO2/c12-9-2-1-3-10(13)11(9)8-4-6-14-7-5-8/h1-3,8,13H,4-7H2
InChIKeyAHEPJZSXHIGORI-UHFFFAOYSA-N
XLogP2.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-3-fluorophenol
CID 117104118
3-methyl-2-(oxan-4-yl)phenol
CID 117104365
2-(oxan-4-yl)-3-(trifluoromethyl)phenol
CID 117104332
2-fluoro-6-(oxan-4-yl)phenol
CID 117104483
4-(2-bromo-3-fluorophenyl)oxane
CID 117104485
1,3-difluoro-2-(4-methylidenecyclohexyl)benzene
CID 91326891
tert-butyl 4-(2-fluoro-6-hydroxyphenyl)piperidine-1-carboxylate
CID 53485826
bis(2-cyclopropyl-3-fluorophenyl)methanone
CID 73011767
2-(2,6-difluorophenyl)-1,3-dioxolane
CID 10511746
4-[3-(2,6-difluorophenyl)cyclohexyl]morpholine
CID 175591824
1,3-difluoro-2-(4-propan-2-ylcyclohexyl)benzene
CID 176552656
N-(2,6-difluorophenyl)oxepan-4-amine
CID 65077164

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(oxan-4-yl)phenol?
The IUPAC name of 3-fluoro-2-(oxan-4-yl)phenol (CID 117104359) is 3-fluoro-2-(oxan-4-yl)phenol.
What is the SMILES notation for 3-fluoro-2-(oxan-4-yl)phenol?
The canonical SMILES for 3-fluoro-2-(oxan-4-yl)phenol is Oc1cccc(F)c1C1CCOCC1.
What is the InChIKey of 3-fluoro-2-(oxan-4-yl)phenol?
The InChIKey is AHEPJZSXHIGORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2/c12-9-2-1-3-10(13)11(9)8-4-6-14-7-5-8/h1-3,8,13H,4-7H2.
What are the key properties of 3-fluoro-2-(oxan-4-yl)phenol?
3-fluoro-2-(oxan-4-yl)phenol has a molecular weight of 196.22 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(oxan-4-yl)phenol is sourced from PubChem (CID 117104359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).