5-fluoro-8-hydroxy-3,4-dihydro-2H-naphthalen-1-one

C10H9FO2 — CID 4868402

IUPAC5-fluoro-8-hydroxy-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2c(F)ccc(O)c21
InChIInChI=1S/C10H9FO2/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h4-5,13H,1-3H2
InChIKeyJNKSZGDYTZWOFB-UHFFFAOYSA-N
MW180.18 g/mol
LogP2.05
Rot. Bonds

About 5-fluoro-8-hydroxy-3,4-dihydro-2H-naphthalen-1-one

5-fluoro-8-hydroxy-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 4868402) has the molecular formula C10H9FO2 and a molecular weight of 180.18 g/mol. Its IUPAC name is 5-fluoro-8-hydroxy-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name5-fluoro-8-hydroxy-3,4-dihydro-2H-naphthalen-1-one
PubChem CID4868402
Molecular FormulaC10H9FO2
Molecular Weight180.18 g/mol
Exact Mass180.06
IUPAC Name5-fluoro-8-hydroxy-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2c(F)ccc(O)c21
InChIInChI=1S/C10H9FO2/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h4-5,13H,1-3H2
InChIKeyJNKSZGDYTZWOFB-UHFFFAOYSA-N
XLogP2.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-8-hydroxy-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 5-fluoro-8-hydroxy-3,4-dihydro-2H-naphthalen-1-one (CID 4868402) is 5-fluoro-8-hydroxy-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 5-fluoro-8-hydroxy-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 5-fluoro-8-hydroxy-3,4-dihydro-2H-naphthalen-1-one is O=C1CCCc2c(F)ccc(O)c21.
What is the InChIKey of 5-fluoro-8-hydroxy-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is JNKSZGDYTZWOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO2/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h4-5,13H,1-3H2.
What are the key properties of 5-fluoro-8-hydroxy-3,4-dihydro-2H-naphthalen-1-one?
5-fluoro-8-hydroxy-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 180.18 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-8-hydroxy-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 4868402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).