1-[(4-methoxyphenyl)methyl]-4-phenylphthalazine

C22H18N2O — CID 66731672

IUPAC1-[(4-methoxyphenyl)methyl]-4-phenylphthalazine
SMILESCOc1ccc(Cc2nnc(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C22H18N2O/c1-25-18-13-11-16(12-14-18)15-21-19-9-5-6-10-20(19)22(24-23-21)17-7-3-2-4-8-17/h2-14H,15H2,1H3
InChIKeyQXNMRPUXHLDZBX-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.90
Rot. Bonds4

About 1-[(4-methoxyphenyl)methyl]-4-phenylphthalazine

1-[(4-methoxyphenyl)methyl]-4-phenylphthalazine (PubChem CID 66731672) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-4-phenylphthalazine.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-4-phenylphthalazine
PubChem CID66731672
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC Name1-[(4-methoxyphenyl)methyl]-4-phenylphthalazine
SMILESCOc1ccc(Cc2nnc(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C22H18N2O/c1-25-18-13-11-16(12-14-18)15-21-19-9-5-6-10-20(19)22(24-23-21)17-7-3-2-4-8-17/h2-14H,15H2,1H3
InChIKeyQXNMRPUXHLDZBX-UHFFFAOYSA-N
XLogP4.90
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

anisole;4-(pyridin-4-ylmethyl)phthalazin-1-amine
CID 174471557
3-[(4-methoxyphenyl)methyl]-1,2-benzoxazole
CID 91419468
5-benzyl-4-(4-methoxyphenyl)-6-phenylpyrimidin-2-amine
CID 139449783
N-[4-[(7-methoxyquinolin-4-yl)methyl]phenyl]-4-phenylphthalazin-1-amine
CID 59427352
N-[(4-methoxyphenyl)methyl]-4-(4-propylphenyl)phthalazin-1-amine
CID 162720636
1-benzyl-4-methoxybenzene;molecular nitrogen
CID 175140604
2-(4-methoxyphenyl)-5-methyl-4-[4-[[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenyl]methyl]phenyl]-1H-imidazole
CID 142406883
N,5-dimethyl-6-[2-[4-[(4-phenylphthalazin-1-yl)methyl]phenoxy]-3-pyridinyl]-5,6-dihydro-1H-pyrimidin-2-imine
CID 143517700
5-benzyl-4,6-bis(4-methoxyphenyl)pyrimidin-2-amine
CID 139449734
5-[(4-methoxyphenyl)methyl]-2-phenyl-1,3-oxazole
CID 102463231
2-(4-methoxyphenyl)-4-[(4-phenoxyphenyl)methyl]-5-phenyl-1,3-oxazole
CID 172549607
4-(4-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]phthalazin-1-amine
CID 51362150

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-4-phenylphthalazine?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-4-phenylphthalazine (CID 66731672) is 1-[(4-methoxyphenyl)methyl]-4-phenylphthalazine.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-4-phenylphthalazine?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-4-phenylphthalazine is COc1ccc(Cc2nnc(-c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-4-phenylphthalazine?
The InChIKey is QXNMRPUXHLDZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O/c1-25-18-13-11-16(12-14-18)15-21-19-9-5-6-10-20(19)22(24-23-21)17-7-3-2-4-8-17/h2-14H,15H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-4-phenylphthalazine?
1-[(4-methoxyphenyl)methyl]-4-phenylphthalazine has a molecular weight of 326.40 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-4-phenylphthalazine is sourced from PubChem (CID 66731672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).