1-(2-methoxy-4-prop-1-enylphenoxy)-4-phenylphthalazine

C24H20N2O2 — CID 6816986

IUPAC1-(2-methoxy-4-prop-1-enylphenoxy)-4-phenylphthalazine
SMILESCC=Cc1ccc(Oc2nnc(-c3ccccc3)c3ccccc23)c(OC)c1
InChIInChI=1S/C24H20N2O2/c1-3-9-17-14-15-21(22(16-17)27-2)28-24-20-13-8-7-12-19(20)23(25-26-24)18-10-5-4-6-11-18/h3-16H,1-2H3
InChIKeyJFXWAKXJOBTVEH-UHFFFAOYSA-N
MW368.44 g/mol
LogP6.13
Rot. Bonds5

About 1-(2-methoxy-4-prop-1-enylphenoxy)-4-phenylphthalazine

1-(2-methoxy-4-prop-1-enylphenoxy)-4-phenylphthalazine (PubChem CID 6816986) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-(2-methoxy-4-prop-1-enylphenoxy)-4-phenylphthalazine.

Molecular Properties

Compound Name1-(2-methoxy-4-prop-1-enylphenoxy)-4-phenylphthalazine
PubChem CID6816986
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name1-(2-methoxy-4-prop-1-enylphenoxy)-4-phenylphthalazine
SMILESCC=Cc1ccc(Oc2nnc(-c3ccccc3)c3ccccc23)c(OC)c1
InChIInChI=1S/C24H20N2O2/c1-3-9-17-14-15-21(22(16-17)27-2)28-24-20-13-8-7-12-19(20)23(25-26-24)18-10-5-4-6-11-18/h3-16H,1-2H3
InChIKeyJFXWAKXJOBTVEH-UHFFFAOYSA-N
XLogP6.13
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.44
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxy-4-methylphenoxy)-4-(4-methylphenyl)phthalazine
CID 6407636
1-phenyl-4-(2,4,6-trimethylphenoxy)phthalazine
CID 154056698
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-1,3-benzoxazole
CID 47053079
N-[(3,4-dimethoxyphenyl)methylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine
CID 2846735
3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]quinazolin-4-one
CID 973373
3-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one
CID 136789147
1,2-dimethoxy-4-penta-1,3-dienylbenzene
CID 141114401
N-benzyl-4-(2-methoxy-4-prop-1-enylphenoxy)-N-methylbutan-1-amine
CID 2934924
1-(3-fluorophenoxy)-4-phenylphthalazine
CID 22011922
2-methoxy-1-[4-(2-propan-2-yloxyphenoxy)butoxy]-4-prop-1-enylbenzene
CID 2898461
N-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]aniline
CID 76946846
[2-methoxy-4-[(E)-prop-1-enyl]phenyl] phenyl hydrogen phosphate
CID 175485766

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-prop-1-enylphenoxy)-4-phenylphthalazine?
The IUPAC name of 1-(2-methoxy-4-prop-1-enylphenoxy)-4-phenylphthalazine (CID 6816986) is 1-(2-methoxy-4-prop-1-enylphenoxy)-4-phenylphthalazine.
What is the SMILES notation for 1-(2-methoxy-4-prop-1-enylphenoxy)-4-phenylphthalazine?
The canonical SMILES for 1-(2-methoxy-4-prop-1-enylphenoxy)-4-phenylphthalazine is CC=Cc1ccc(Oc2nnc(-c3ccccc3)c3ccccc23)c(OC)c1.
What is the InChIKey of 1-(2-methoxy-4-prop-1-enylphenoxy)-4-phenylphthalazine?
The InChIKey is JFXWAKXJOBTVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2/c1-3-9-17-14-15-21(22(16-17)27-2)28-24-20-13-8-7-12-19(20)23(25-26-24)18-10-5-4-6-11-18/h3-16H,1-2H3.
What are the key properties of 1-(2-methoxy-4-prop-1-enylphenoxy)-4-phenylphthalazine?
1-(2-methoxy-4-prop-1-enylphenoxy)-4-phenylphthalazine has a molecular weight of 368.44 g/mol, XLogP of 6.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-prop-1-enylphenoxy)-4-phenylphthalazine is sourced from PubChem (CID 6816986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).