2-phthalazin-5-ylpropan-1-ol

C11H12N2O — CID 117281159

IUPAC2-phthalazin-5-ylpropan-1-ol
SMILESCC(CO)c1cccc2cnncc12
InChIInChI=1S/C11H12N2O/c1-8(7-14)10-4-2-3-9-5-12-13-6-11(9)10/h2-6,8,14H,7H2,1H3
InChIKeyUUXSHMRKJZZSLP-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.73
Rot. Bonds2

About 2-phthalazin-5-ylpropan-1-ol

2-phthalazin-5-ylpropan-1-ol (PubChem CID 117281159) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-phthalazin-5-ylpropan-1-ol.

Molecular Properties

Compound Name2-phthalazin-5-ylpropan-1-ol
PubChem CID117281159
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2-phthalazin-5-ylpropan-1-ol
SMILESCC(CO)c1cccc2cnncc12
InChIInChI=1S/C11H12N2O/c1-8(7-14)10-4-2-3-9-5-12-13-6-11(9)10/h2-6,8,14H,7H2,1H3
InChIKeyUUXSHMRKJZZSLP-UHFFFAOYSA-N
XLogP1.73
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phthalazin-5-ylbutanal
CID 117289425
2-(6-methylnaphthalen-1-yl)propan-1-ol
CID 105452929
3,3,3-trideuterio-2-naphthalen-1-ylpropan-1-ol
CID 169444620
2-(2-methoxy-3-propan-2-ylphenyl)propan-1-ol
CID 117297911
(2S)-2-(2-fluoro-3-methylphenyl)propan-1-ol
CID 137495606
2-[2-(fluoromethyl)phenyl]propan-1-ol
CID 117276627
2-(2-bromo-3-methylphenyl)propan-1-ol
CID 117329757
2-(2-methoxy-3-methylsulfonylphenyl)propan-1-ol
CID 117362805
3-isoquinolin-8-ylbutanal
CID 117288736
2-[3-fluoro-2-(1-fluoroethyl)phenyl]propan-1-ol
CID 117289376
2-ethyl-6-(1-hydroxypropan-2-yl)phenol
CID 117278483
2-[2-(2,2-difluoroethyl)phenyl]propan-1-ol
CID 117289377

Frequently Asked Questions

What is the IUPAC name of 2-phthalazin-5-ylpropan-1-ol?
The IUPAC name of 2-phthalazin-5-ylpropan-1-ol (CID 117281159) is 2-phthalazin-5-ylpropan-1-ol.
What is the SMILES notation for 2-phthalazin-5-ylpropan-1-ol?
The canonical SMILES for 2-phthalazin-5-ylpropan-1-ol is CC(CO)c1cccc2cnncc12.
What is the InChIKey of 2-phthalazin-5-ylpropan-1-ol?
The InChIKey is UUXSHMRKJZZSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-8(7-14)10-4-2-3-9-5-12-13-6-11(9)10/h2-6,8,14H,7H2,1H3.
What are the key properties of 2-phthalazin-5-ylpropan-1-ol?
2-phthalazin-5-ylpropan-1-ol has a molecular weight of 188.23 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phthalazin-5-ylpropan-1-ol is sourced from PubChem (CID 117281159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).