3-fluoro-2H-chromen-4-ol

C9H7FO2 — CID 175979949

IUPAC3-fluoro-2H-chromen-4-ol
SMILESOC1=C(F)COc2ccccc21
InChIInChI=1S/C9H7FO2/c10-7-5-12-8-4-2-1-3-6(8)9(7)11/h1-4,11H,5H2
InChIKeySQZLLGZSBVZZMD-UHFFFAOYSA-N
MW166.15 g/mol
LogP2.28
Rot. Bonds

About 3-fluoro-2H-chromen-4-ol

3-fluoro-2H-chromen-4-ol (PubChem CID 175979949) has the molecular formula C9H7FO2 and a molecular weight of 166.15 g/mol. Its IUPAC name is 3-fluoro-2H-chromen-4-ol.

Molecular Properties

Compound Name3-fluoro-2H-chromen-4-ol
PubChem CID175979949
Molecular FormulaC9H7FO2
Molecular Weight166.15 g/mol
Exact Mass166.04
IUPAC Name3-fluoro-2H-chromen-4-ol
SMILESOC1=C(F)COc2ccccc21
InChIInChI=1S/C9H7FO2/c10-7-5-12-8-4-2-1-3-6(8)9(7)11/h1-4,11H,5H2
InChIKeySQZLLGZSBVZZMD-UHFFFAOYSA-N
XLogP2.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2H-chromen-4-ol?
The IUPAC name of 3-fluoro-2H-chromen-4-ol (CID 175979949) is 3-fluoro-2H-chromen-4-ol.
What is the SMILES notation for 3-fluoro-2H-chromen-4-ol?
The canonical SMILES for 3-fluoro-2H-chromen-4-ol is OC1=C(F)COc2ccccc21.
What is the InChIKey of 3-fluoro-2H-chromen-4-ol?
The InChIKey is SQZLLGZSBVZZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FO2/c10-7-5-12-8-4-2-1-3-6(8)9(7)11/h1-4,11H,5H2.
What are the key properties of 3-fluoro-2H-chromen-4-ol?
3-fluoro-2H-chromen-4-ol has a molecular weight of 166.15 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2H-chromen-4-ol is sourced from PubChem (CID 175979949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).