2-fluoro-6-methylnaphthalene-1,4-diol

C11H9FO2 — CID 163406658

IUPAC2-fluoro-6-methylnaphthalene-1,4-diol
SMILESCc1ccc2c(O)c(F)cc(O)c2c1
InChIInChI=1S/C11H9FO2/c1-6-2-3-7-8(4-6)10(13)5-9(12)11(7)14/h2-5,13-14H,1H3
InChIKeyKEALYULRQKPHPH-UHFFFAOYSA-N
MW192.19 g/mol
LogP2.70
Rot. Bonds

About 2-fluoro-6-methylnaphthalene-1,4-diol

2-fluoro-6-methylnaphthalene-1,4-diol (PubChem CID 163406658) has the molecular formula C11H9FO2 and a molecular weight of 192.19 g/mol. Its IUPAC name is 2-fluoro-6-methylnaphthalene-1,4-diol.

Molecular Properties

Compound Name2-fluoro-6-methylnaphthalene-1,4-diol
PubChem CID163406658
Molecular FormulaC11H9FO2
Molecular Weight192.19 g/mol
Exact Mass192.06
IUPAC Name2-fluoro-6-methylnaphthalene-1,4-diol
SMILESCc1ccc2c(O)c(F)cc(O)c2c1
InChIInChI=1S/C11H9FO2/c1-6-2-3-7-8(4-6)10(13)5-9(12)11(7)14/h2-5,13-14H,1H3
InChIKeyKEALYULRQKPHPH-UHFFFAOYSA-N
XLogP2.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methylnaphthalene-1,4-diol?
The IUPAC name of 2-fluoro-6-methylnaphthalene-1,4-diol (CID 163406658) is 2-fluoro-6-methylnaphthalene-1,4-diol.
What is the SMILES notation for 2-fluoro-6-methylnaphthalene-1,4-diol?
The canonical SMILES for 2-fluoro-6-methylnaphthalene-1,4-diol is Cc1ccc2c(O)c(F)cc(O)c2c1.
What is the InChIKey of 2-fluoro-6-methylnaphthalene-1,4-diol?
The InChIKey is KEALYULRQKPHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FO2/c1-6-2-3-7-8(4-6)10(13)5-9(12)11(7)14/h2-5,13-14H,1H3.
What are the key properties of 2-fluoro-6-methylnaphthalene-1,4-diol?
2-fluoro-6-methylnaphthalene-1,4-diol has a molecular weight of 192.19 g/mol, XLogP of 2.70, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methylnaphthalene-1,4-diol is sourced from PubChem (CID 163406658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).