1-[4-[4-(4-methoxyphenoxy)benzoyl]phenyl]ethanone;[4-[4-(4-methylbenzoyl)phenyl]phenyl]-(4-methylphenyl)methanone;2-methyl-4-[4-(4-methylphenoxy)phenyl]phthalazin-1-one

C72H58N2O8 — CID 161361548

IUPAC1-[4-[4-(4-methoxyphenoxy)benzoyl]phenyl]ethanone;[4-[4-(4-methylbenzoyl)phenyl]phenyl]-(4-methylphenyl)methanone;2-methyl-4-[4-(4-methylphenoxy)phenyl]phthalazin-1-one
SMILESCOc1ccc(Oc2ccc(C(=O)c3ccc(C(C)=O)cc3)cc2)cc1.Cc1ccc(C(=O)c2ccc(-c3ccc(C(=O)c4ccc(C)cc4)cc3)cc2)cc1.Cc1ccc(Oc2ccc(-c3nn(C)c(=O)c4ccccc34)cc2)cc1
InChIInChI=1S/C28H22O2.C22H18N2O2.C22H18O4/c1-19-3-7-23(8-4-19)27(29)25-15-11-21(12-16-25)22-13-17-26(18-14-22)28(30)24-9-5-20(2)6-10-24;1-15-7-11-17(12-8-15)26-18-13-9-16(10-14-18)21-19-5-3-4-6-20(19)22(25)24(2)23-21;1-15(23)16-3-5-17(6-4-16)22(24)18-7-9-20(10-8-18)26-21-13-11-19(25-2)12-14-21/h3-18H,1-2H3;2*3-14H,1-2H3
InChIKeyVPGAGBPXXOLMMK-UHFFFAOYSA-N
MW1079.26 g/mol
LogP16.05
Rot. Bonds14

About 1-[4-[4-(4-methoxyphenoxy)benzoyl]phenyl]ethanone;[4-[4-(4-methylbenzoyl)phenyl]phenyl]-(4-methylphenyl)methanone;2-methyl-4-[4-(4-methylphenoxy)phenyl]phthalazin-1-one

1-[4-[4-(4-methoxyphenoxy)benzoyl]phenyl]ethanone;[4-[4-(4-methylbenzoyl)phenyl]phenyl]-(4-methylphenyl)methanone;2-methyl-4-[4-(4-methylphenoxy)phenyl]phthalazin-1-one (PubChem CID 161361548) has the molecular formula C72H58N2O8 and a molecular weight of 1079.26 g/mol. Its IUPAC name is 1-[4-[4-(4-methoxyphenoxy)benzoyl]phenyl]ethanone;[4-[4-(4-methylbenzoyl)phenyl]phenyl]-(4-methylphenyl)methanone;2-methyl-4-[4-(4-methylphenoxy)phenyl]phthalazin-1-one.

Molecular Properties

Compound Name1-[4-[4-(4-methoxyphenoxy)benzoyl]phenyl]ethanone;[4-[4-(4-methylbenzoyl)phenyl]phenyl]-(4-methylphenyl)methanone;2-methyl-4-[4-(4-methylphenoxy)phenyl]phthalazin-1-one
PubChem CID161361548
Molecular FormulaC72H58N2O8
Molecular Weight1079.26 g/mol
Exact Mass1078.42
IUPAC Name1-[4-[4-(4-methoxyphenoxy)benzoyl]phenyl]ethanone;[4-[4-(4-methylbenzoyl)phenyl]phenyl]-(4-methylphenyl)methanone;2-methyl-4-[4-(4-methylphenoxy)phenyl]phthalazin-1-one
SMILESCOc1ccc(Oc2ccc(C(=O)c3ccc(C(C)=O)cc3)cc2)cc1.Cc1ccc(C(=O)c2ccc(-c3ccc(C(=O)c4ccc(C)cc4)cc3)cc2)cc1.Cc1ccc(Oc2ccc(-c3nn(C)c(=O)c4ccccc34)cc2)cc1
InChIInChI=1S/C28H22O2.C22H18N2O2.C22H18O4/c1-19-3-7-23(8-4-19)27(29)25-15-11-21(12-16-25)22-13-17-26(18-14-22)28(30)24-9-5-20(2)6-10-24;1-15-7-11-17(12-8-15)26-18-13-9-16(10-14-18)21-19-5-3-4-6-20(19)22(25)24(2)23-21;1-15(23)16-3-5-17(6-4-16)22(24)18-7-9-20(10-8-18)26-21-13-11-19(25-2)12-14-21/h3-18H,1-2H3;2*3-14H,1-2H3
InChIKeyVPGAGBPXXOLMMK-UHFFFAOYSA-N
XLogP16.05
TPSA130.86 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001079.26
LogP ≤ 516.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-[4-[4-(4-methoxyphenoxy)benzoyl]phenyl]ethanone;[4-[4-(4-methylbenzoyl)phenyl]phenyl]-(4-methylphenyl)methanone;2-methyl-4-[4-(4-methylphenoxy)phenyl]phthalazin-1-one with MolForge

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Related Compounds

[4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenyl]-(4-methylphenyl)methanone;1-[4-[4-[4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]benzoyl]phenoxy]phenyl]ethanone;1-[4-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenoxy]benzoyl]phenoxy]phenyl]ethanone;1-[4-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenoxy]benzoyl]phenyl]phenyl]ethanone
CID 158374432
[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-[4-(4-methylphenoxy)phenyl]methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone;(4-methoxyphenyl)-[4-[4-(4-methylphenyl)phenoxy]phenyl]methanone;1-[4-[4-[4-[4-(4-methylphenoxy)benzoyl]phenoxy]benzoyl]phenyl]ethanone;1-[4-[4-[4-[4-(4-methylphenoxy)phenoxy]benzoyl]phenoxy]phenyl]ethanone;1-[4-[4-[4-[4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]ethanone;1-[4-[4-[4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]benzoyl]phenoxy]phenyl]ethanone;1-[4-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenoxy]benzoyl]phenoxy]phenyl]ethanone
CID 158259629
(4-methoxyphenyl)-(4-methylphenyl)methanone;1-[4-[4-(4-methylphenoxy)benzoyl]phenyl]ethanone
CID 145054271
N-(4-methoxyphenyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
CID 1087197
[3-(4-methoxybenzoyl)phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-[4-(4-methylphenoxy)phenyl]methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone;1-[4-[4-(4-methylphenoxy)benzoyl]phenyl]ethanone
CID 161175787
[4-[4-[4-[4-[4-[4-[4-(4-methoxyphenoxy)benzoyl]phenoxy]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 20643575
(4-methoxyphenyl)-[4-(4-phenylphenoxy)phenyl]methanone
CID 146206951
1-[4-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenoxy]phenyl]phenoxy]phenyl]ethanone
CID 126710300
[4-(4-methylphenyl)phenyl] 3-methyl-4-oxophthalazine-1-carboxylate
CID 18266754
N-[[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]-4-methylbenzamide
CID 1298762
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
4-[4-[4-[4-(4-carboxyphenoxy)phenyl]phenyl]-1-oxophthalazin-2-yl]benzoic acid
CID 100961465

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-methoxyphenoxy)benzoyl]phenyl]ethanone;[4-[4-(4-methylbenzoyl)phenyl]phenyl]-(4-methylphenyl)methanone;2-methyl-4-[4-(4-methylphenoxy)phenyl]phthalazin-1-one?
The IUPAC name of 1-[4-[4-(4-methoxyphenoxy)benzoyl]phenyl]ethanone;[4-[4-(4-methylbenzoyl)phenyl]phenyl]-(4-methylphenyl)methanone;2-methyl-4-[4-(4-methylphenoxy)phenyl]phthalazin-1-one (CID 161361548) is 1-[4-[4-(4-methoxyphenoxy)benzoyl]phenyl]ethanone;[4-[4-(4-methylbenzoyl)phenyl]phenyl]-(4-methylphenyl)methanone;2-methyl-4-[4-(4-methylphenoxy)phenyl]phthalazin-1-one.
What is the SMILES notation for 1-[4-[4-(4-methoxyphenoxy)benzoyl]phenyl]ethanone;[4-[4-(4-methylbenzoyl)phenyl]phenyl]-(4-methylphenyl)methanone;2-methyl-4-[4-(4-methylphenoxy)phenyl]phthalazin-1-one?
The canonical SMILES for 1-[4-[4-(4-methoxyphenoxy)benzoyl]phenyl]ethanone;[4-[4-(4-methylbenzoyl)phenyl]phenyl]-(4-methylphenyl)methanone;2-methyl-4-[4-(4-methylphenoxy)phenyl]phthalazin-1-one is COc1ccc(Oc2ccc(C(=O)c3ccc(C(C)=O)cc3)cc2)cc1.Cc1ccc(C(=O)c2ccc(-c3ccc(C(=O)c4ccc(C)cc4)cc3)cc2)cc1.Cc1ccc(Oc2ccc(-c3nn(C)c(=O)c4ccccc34)cc2)cc1.
What is the InChIKey of 1-[4-[4-(4-methoxyphenoxy)benzoyl]phenyl]ethanone;[4-[4-(4-methylbenzoyl)phenyl]phenyl]-(4-methylphenyl)methanone;2-methyl-4-[4-(4-methylphenoxy)phenyl]phthalazin-1-one?
The InChIKey is VPGAGBPXXOLMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22O2.C22H18N2O2.C22H18O4/c1-19-3-7-23(8-4-19)27(29)25-15-11-21(12-16-25)22-13-17-26(18-14-22)28(30)24-9-5-20(2)6-10-24;1-15-7-11-17(12-8-15)26-18-13-9-16(10-14-18)21-19-5-3-4-6-20(19)22(25)24(2)23-21;1-15(23)16-3-5-17(6-4-16)22(24)18-7-9-20(10-8-18)26-21-13-11-19(25-2)12-14-21/h3-18H,1-2H3;2*3-14H,1-2H3.
What are the key properties of 1-[4-[4-(4-methoxyphenoxy)benzoyl]phenyl]ethanone;[4-[4-(4-methylbenzoyl)phenyl]phenyl]-(4-methylphenyl)methanone;2-methyl-4-[4-(4-methylphenoxy)phenyl]phthalazin-1-one?
1-[4-[4-(4-methoxyphenoxy)benzoyl]phenyl]ethanone;[4-[4-(4-methylbenzoyl)phenyl]phenyl]-(4-methylphenyl)methanone;2-methyl-4-[4-(4-methylphenoxy)phenyl]phthalazin-1-one has a molecular weight of 1079.26 g/mol, XLogP of 16.05, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-methoxyphenoxy)benzoyl]phenyl]ethanone;[4-[4-(4-methylbenzoyl)phenyl]phenyl]-(4-methylphenyl)methanone;2-methyl-4-[4-(4-methylphenoxy)phenyl]phthalazin-1-one is sourced from PubChem (CID 161361548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).