3-chloro-4-phthalazin-1-yloxybenzoic acid

C15H9ClN2O3 — CID 61396381

IUPAC3-chloro-4-phthalazin-1-yloxybenzoic acid
SMILESO=C(O)c1ccc(Oc2nncc3ccccc23)c(Cl)c1
InChIInChI=1S/C15H9ClN2O3/c16-12-7-9(15(19)20)5-6-13(12)21-14-11-4-2-1-3-10(11)8-17-18-14/h1-8H,(H,19,20)
InChIKeySDIRFDVTEYTOOU-UHFFFAOYSA-N
MW300.70 g/mol
LogP3.77
Rot. Bonds3

About 3-chloro-4-phthalazin-1-yloxybenzoic acid

3-chloro-4-phthalazin-1-yloxybenzoic acid (PubChem CID 61396381) has the molecular formula C15H9ClN2O3 and a molecular weight of 300.70 g/mol. Its IUPAC name is 3-chloro-4-phthalazin-1-yloxybenzoic acid.

Molecular Properties

Compound Name3-chloro-4-phthalazin-1-yloxybenzoic acid
PubChem CID61396381
Molecular FormulaC15H9ClN2O3
Molecular Weight300.70 g/mol
Exact Mass300.03
IUPAC Name3-chloro-4-phthalazin-1-yloxybenzoic acid
SMILESO=C(O)c1ccc(Oc2nncc3ccccc23)c(Cl)c1
InChIInChI=1S/C15H9ClN2O3/c16-12-7-9(15(19)20)5-6-13(12)21-14-11-4-2-1-3-10(11)8-17-18-14/h1-8H,(H,19,20)
InChIKeySDIRFDVTEYTOOU-UHFFFAOYSA-N
XLogP3.77
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.70
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-phthalazin-1-yloxybenzoic acid
CID 107672852
5-methyl-2-phthalazin-1-yloxybenzoic acid
CID 61396297
2-methyl-4-phthalazin-1-yloxybenzoic acid
CID 107672665
1-(5-amino-2-phthalazin-1-yloxyphenyl)ethanone
CID 116541453
2-oxopropanedial;tetrakis(1-phthalazin-1-yloxyphthalazine)
CID 174500903
3-chloro-4-pyridin-2-yloxybenzoic acid
CID 59625693
4-[(3-bromo-2-pyridinyl)oxy]-3-chlorobenzoic acid
CID 61396283
3-chloro-4-[(3,5-difluoro-2-pyridinyl)oxy]benzoic acid
CID 112676365
3-chloro-4-[(3-fluoro-2-pyridinyl)oxy]benzoic acid
CID 62733254
3-chloro-4-(2-ethoxyphenoxy)benzoic acid
CID 63089145
3-fluoro-4-phthalazin-1-yloxyaniline
CID 43517076
3-chloro-4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]benzoic acid
CID 114450098

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-phthalazin-1-yloxybenzoic acid?
The IUPAC name of 3-chloro-4-phthalazin-1-yloxybenzoic acid (CID 61396381) is 3-chloro-4-phthalazin-1-yloxybenzoic acid.
What is the SMILES notation for 3-chloro-4-phthalazin-1-yloxybenzoic acid?
The canonical SMILES for 3-chloro-4-phthalazin-1-yloxybenzoic acid is O=C(O)c1ccc(Oc2nncc3ccccc23)c(Cl)c1.
What is the InChIKey of 3-chloro-4-phthalazin-1-yloxybenzoic acid?
The InChIKey is SDIRFDVTEYTOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN2O3/c16-12-7-9(15(19)20)5-6-13(12)21-14-11-4-2-1-3-10(11)8-17-18-14/h1-8H,(H,19,20).
What are the key properties of 3-chloro-4-phthalazin-1-yloxybenzoic acid?
3-chloro-4-phthalazin-1-yloxybenzoic acid has a molecular weight of 300.70 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-phthalazin-1-yloxybenzoic acid is sourced from PubChem (CID 61396381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).