3-phthalazin-1-ylpropan-1-ol

C11H12N2O — CID 22419357

IUPAC3-phthalazin-1-ylpropan-1-ol
SMILESOCCCc1nncc2ccccc12
InChIInChI=1S/C11H12N2O/c14-7-3-6-11-10-5-2-1-4-9(10)8-12-13-11/h1-2,4-5,8,14H,3,6-7H2
InChIKeyABFDQVVINZZZOW-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.55
Rot. Bonds3

About 3-phthalazin-1-ylpropan-1-ol

3-phthalazin-1-ylpropan-1-ol (PubChem CID 22419357) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-phthalazin-1-ylpropan-1-ol.

Molecular Properties

Compound Name3-phthalazin-1-ylpropan-1-ol
PubChem CID22419357
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name3-phthalazin-1-ylpropan-1-ol
SMILESOCCCc1nncc2ccccc12
InChIInChI=1S/C11H12N2O/c14-7-3-6-11-10-5-2-1-4-9(10)8-12-13-11/h1-2,4-5,8,14H,3,6-7H2
InChIKeyABFDQVVINZZZOW-UHFFFAOYSA-N
XLogP1.55
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phthalazin-1-ylpropan-1-ol?
The IUPAC name of 3-phthalazin-1-ylpropan-1-ol (CID 22419357) is 3-phthalazin-1-ylpropan-1-ol.
What is the SMILES notation for 3-phthalazin-1-ylpropan-1-ol?
The canonical SMILES for 3-phthalazin-1-ylpropan-1-ol is OCCCc1nncc2ccccc12.
What is the InChIKey of 3-phthalazin-1-ylpropan-1-ol?
The InChIKey is ABFDQVVINZZZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c14-7-3-6-11-10-5-2-1-4-9(10)8-12-13-11/h1-2,4-5,8,14H,3,6-7H2.
What are the key properties of 3-phthalazin-1-ylpropan-1-ol?
3-phthalazin-1-ylpropan-1-ol has a molecular weight of 188.23 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phthalazin-1-ylpropan-1-ol is sourced from PubChem (CID 22419357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).