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

C12H15FO3 — CID 18920208

IUPAC2-fluoro-3-(4-methoxyoxan-4-yl)phenol
SMILESCOC1(c2cccc(O)c2F)CCOCC1
InChIInChI=1S/C12H15FO3/c1-15-12(5-7-16-8-6-12)9-3-2-4-10(14)11(9)13/h2-4,14H,5-8H2,1H3
InChIKeyACOMMKVPPDGIPM-UHFFFAOYSA-N
MW226.25 g/mol
LogP2.18
Rot. Bonds2

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

2-fluoro-3-(4-methoxyoxan-4-yl)phenol (PubChem CID 18920208) has the molecular formula C12H15FO3 and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-fluoro-3-(4-methoxyoxan-4-yl)phenol.

Molecular Properties

Compound Name2-fluoro-3-(4-methoxyoxan-4-yl)phenol
PubChem CID18920208
Molecular FormulaC12H15FO3
Molecular Weight226.25 g/mol
Exact Mass226.10
IUPAC Name2-fluoro-3-(4-methoxyoxan-4-yl)phenol
SMILESCOC1(c2cccc(O)c2F)CCOCC1
InChIInChI=1S/C12H15FO3/c1-15-12(5-7-16-8-6-12)9-3-2-4-10(14)11(9)13/h2-4,14H,5-8H2,1H3
InChIKeyACOMMKVPPDGIPM-UHFFFAOYSA-N
XLogP2.18
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(4-methoxyoxan-4-yl)phenol?
The IUPAC name of 2-fluoro-3-(4-methoxyoxan-4-yl)phenol (CID 18920208) is 2-fluoro-3-(4-methoxyoxan-4-yl)phenol.
What is the SMILES notation for 2-fluoro-3-(4-methoxyoxan-4-yl)phenol?
The canonical SMILES for 2-fluoro-3-(4-methoxyoxan-4-yl)phenol is COC1(c2cccc(O)c2F)CCOCC1.
What is the InChIKey of 2-fluoro-3-(4-methoxyoxan-4-yl)phenol?
The InChIKey is ACOMMKVPPDGIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO3/c1-15-12(5-7-16-8-6-12)9-3-2-4-10(14)11(9)13/h2-4,14H,5-8H2,1H3.
What are the key properties of 2-fluoro-3-(4-methoxyoxan-4-yl)phenol?
2-fluoro-3-(4-methoxyoxan-4-yl)phenol has a molecular weight of 226.25 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(4-methoxyoxan-4-yl)phenol is sourced from PubChem (CID 18920208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).