2-methoxy-5-[(phthalazin-1-ylhydrazinylidene)methyl]phenol

C16H14N4O2 — CID 6799193

IUPAC2-methoxy-5-[(phthalazin-1-ylhydrazinylidene)methyl]phenol
SMILESCOc1ccc(C=NNc2nncc3ccccc23)cc1O
InChIInChI=1S/C16H14N4O2/c1-22-15-7-6-11(8-14(15)21)9-17-19-16-13-5-3-2-4-12(13)10-18-20-16/h2-10,21H,1H3,(H,19,20)
InChIKeyOFMXKKHEBZVWIR-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.79
Rot. Bonds4

About 2-methoxy-5-[(phthalazin-1-ylhydrazinylidene)methyl]phenol

2-methoxy-5-[(phthalazin-1-ylhydrazinylidene)methyl]phenol (PubChem CID 6799193) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-methoxy-5-[(phthalazin-1-ylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[(phthalazin-1-ylhydrazinylidene)methyl]phenol
PubChem CID6799193
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name2-methoxy-5-[(phthalazin-1-ylhydrazinylidene)methyl]phenol
SMILESCOc1ccc(C=NNc2nncc3ccccc23)cc1O
InChIInChI=1S/C16H14N4O2/c1-22-15-7-6-11(8-14(15)21)9-17-19-16-13-5-3-2-4-12(13)10-18-20-16/h2-10,21H,1H3,(H,19,20)
InChIKeyOFMXKKHEBZVWIR-UHFFFAOYSA-N
XLogP2.79
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3,4,5-trimethoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6828163
N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6413560
2-[2-hydroxy-3-methoxy-5-[(E)-(phthalazin-1-ylhydrazinylidene)methyl]phenyl]-6-methoxy-4-[(E)-(phthalazin-1-ylhydrazinylidene)methyl]phenol;dihydrochloride
CID 135939746
N-[(3-methoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6831939
[2-methoxy-4-[(phthalazin-1-ylhydrazinylidene)methyl]phenyl] 4-fluorobenzoate
CID 6788421
5-[(phthalazin-1-ylhydrazinylidene)methyl]benzene-1,2,4-triol
CID 140599283
N-[(2,3-dimethoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6812902
2,3-dimethoxy-6-[(phthalazin-1-ylhydrazinylidene)methyl]benzoic acid
CID 6795285
2,3-dimethoxy-6-[(Z)-(phthalazin-1-ylhydrazinylidene)methyl]benzoic acid
CID 6412287
N-[(Z)-(4-chlorophenyl)methylideneamino]phthalazin-1-amine
CID 6111828
N-[(Z)-(3-phenoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6411688
4-[(E)-2-diethoxyphosphorylethenyl]-2-[2-hydroxy-3-methoxy-5-[(E)-(phthalazin-1-ylhydrazinylidene)methyl]phenyl]-6-methoxyphenol
CID 135939745

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(phthalazin-1-ylhydrazinylidene)methyl]phenol?
The IUPAC name of 2-methoxy-5-[(phthalazin-1-ylhydrazinylidene)methyl]phenol (CID 6799193) is 2-methoxy-5-[(phthalazin-1-ylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 2-methoxy-5-[(phthalazin-1-ylhydrazinylidene)methyl]phenol?
The canonical SMILES for 2-methoxy-5-[(phthalazin-1-ylhydrazinylidene)methyl]phenol is COc1ccc(C=NNc2nncc3ccccc23)cc1O.
What is the InChIKey of 2-methoxy-5-[(phthalazin-1-ylhydrazinylidene)methyl]phenol?
The InChIKey is OFMXKKHEBZVWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-22-15-7-6-11(8-14(15)21)9-17-19-16-13-5-3-2-4-12(13)10-18-20-16/h2-10,21H,1H3,(H,19,20).
What are the key properties of 2-methoxy-5-[(phthalazin-1-ylhydrazinylidene)methyl]phenol?
2-methoxy-5-[(phthalazin-1-ylhydrazinylidene)methyl]phenol has a molecular weight of 294.31 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(phthalazin-1-ylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 6799193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).