2-phthalazin-6-ylethanol

C10H10N2O — CID 21134723

IUPAC2-phthalazin-6-ylethanol
SMILESOCCc1ccc2cnncc2c1
InChIInChI=1S/C10H10N2O/c13-4-3-8-1-2-9-6-11-12-7-10(9)5-8/h1-2,5-7,13H,3-4H2
InChIKeyHHJOXTQTDUAMBH-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.16
Rot. Bonds2

About 2-phthalazin-6-ylethanol

2-phthalazin-6-ylethanol (PubChem CID 21134723) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-phthalazin-6-ylethanol.

Molecular Properties

Compound Name2-phthalazin-6-ylethanol
PubChem CID21134723
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name2-phthalazin-6-ylethanol
SMILESOCCc1ccc2cnncc2c1
InChIInChI=1S/C10H10N2O/c13-4-3-8-1-2-9-6-11-12-7-10(9)5-8/h1-2,5-7,13H,3-4H2
InChIKeyHHJOXTQTDUAMBH-UHFFFAOYSA-N
XLogP1.16
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phthalazin-6-ylethanol?
The IUPAC name of 2-phthalazin-6-ylethanol (CID 21134723) is 2-phthalazin-6-ylethanol.
What is the SMILES notation for 2-phthalazin-6-ylethanol?
The canonical SMILES for 2-phthalazin-6-ylethanol is OCCc1ccc2cnncc2c1.
What is the InChIKey of 2-phthalazin-6-ylethanol?
The InChIKey is HHJOXTQTDUAMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c13-4-3-8-1-2-9-6-11-12-7-10(9)5-8/h1-2,5-7,13H,3-4H2.
What are the key properties of 2-phthalazin-6-ylethanol?
2-phthalazin-6-ylethanol has a molecular weight of 174.20 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phthalazin-6-ylethanol is sourced from PubChem (CID 21134723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).