4-chloro-1-(2-methoxy-4-methylphenyl)-6-methylphthalazine

C17H15ClN2O — CID 166151415

IUPAC4-chloro-1-(2-methoxy-4-methylphenyl)-6-methylphthalazine
SMILESCOc1cc(C)ccc1-c1nnc(Cl)c2cc(C)ccc12
InChIInChI=1S/C17H15ClN2O/c1-10-4-6-12-14(8-10)17(18)20-19-16(12)13-7-5-11(2)9-15(13)21-3/h4-9H,1-3H3
InChIKeyHFKLSOYGGNIRBX-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.58
Rot. Bonds2

About 4-chloro-1-(2-methoxy-4-methylphenyl)-6-methylphthalazine

4-chloro-1-(2-methoxy-4-methylphenyl)-6-methylphthalazine (PubChem CID 166151415) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 4-chloro-1-(2-methoxy-4-methylphenyl)-6-methylphthalazine.

Molecular Properties

Compound Name4-chloro-1-(2-methoxy-4-methylphenyl)-6-methylphthalazine
PubChem CID166151415
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name4-chloro-1-(2-methoxy-4-methylphenyl)-6-methylphthalazine
SMILESCOc1cc(C)ccc1-c1nnc(Cl)c2cc(C)ccc12
InChIInChI=1S/C17H15ClN2O/c1-10-4-6-12-14(8-10)17(18)20-19-16(12)13-7-5-11(2)9-15(13)21-3/h4-9H,1-3H3
InChIKeyHFKLSOYGGNIRBX-UHFFFAOYSA-N
XLogP4.58
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2-methoxy-4-methylphenyl)-6-methylphthalazine?
The IUPAC name of 4-chloro-1-(2-methoxy-4-methylphenyl)-6-methylphthalazine (CID 166151415) is 4-chloro-1-(2-methoxy-4-methylphenyl)-6-methylphthalazine.
What is the SMILES notation for 4-chloro-1-(2-methoxy-4-methylphenyl)-6-methylphthalazine?
The canonical SMILES for 4-chloro-1-(2-methoxy-4-methylphenyl)-6-methylphthalazine is COc1cc(C)ccc1-c1nnc(Cl)c2cc(C)ccc12.
What is the InChIKey of 4-chloro-1-(2-methoxy-4-methylphenyl)-6-methylphthalazine?
The InChIKey is HFKLSOYGGNIRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-10-4-6-12-14(8-10)17(18)20-19-16(12)13-7-5-11(2)9-15(13)21-3/h4-9H,1-3H3.
What are the key properties of 4-chloro-1-(2-methoxy-4-methylphenyl)-6-methylphthalazine?
4-chloro-1-(2-methoxy-4-methylphenyl)-6-methylphthalazine has a molecular weight of 298.77 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2-methoxy-4-methylphenyl)-6-methylphthalazine is sourced from PubChem (CID 166151415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).