[4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenyl]-(4-methylphenyl)methanone

C35H26O5 — CID 18683144

IUPAC[4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenyl]-(4-methylphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(Oc3ccc(C(=O)c4ccc(C(=O)c5ccc(C)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C35H26O5/c1-23-3-5-24(6-4-23)33(36)25-7-9-26(10-8-25)34(37)28-13-19-31(20-14-28)40-32-21-15-29(16-22-32)35(38)27-11-17-30(39-2)18-12-27/h3-22H,1-2H3
InChIKeyVWQKPGKZNNDJOD-UHFFFAOYSA-N
MW526.59 g/mol
LogP7.49
Rot. Bonds9

About [4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenyl]-(4-methylphenyl)methanone

[4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenyl]-(4-methylphenyl)methanone (PubChem CID 18683144) has the molecular formula C35H26O5 and a molecular weight of 526.59 g/mol. Its IUPAC name is [4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenyl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenyl]-(4-methylphenyl)methanone
PubChem CID18683144
Molecular FormulaC35H26O5
Molecular Weight526.59 g/mol
Exact Mass526.18
IUPAC Name[4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenyl]-(4-methylphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(Oc3ccc(C(=O)c4ccc(C(=O)c5ccc(C)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C35H26O5/c1-23-3-5-24(6-4-23)33(36)25-7-9-26(10-8-25)34(37)28-13-19-31(20-14-28)40-32-21-15-29(16-22-32)35(38)27-11-17-30(39-2)18-12-27/h3-22H,1-2H3
InChIKeyVWQKPGKZNNDJOD-UHFFFAOYSA-N
XLogP7.49
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.59
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenyl]-(4-methylphenyl)methanone?
The IUPAC name of [4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenyl]-(4-methylphenyl)methanone (CID 18683144) is [4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenyl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenyl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenyl]-(4-methylphenyl)methanone is COc1ccc(C(=O)c2ccc(Oc3ccc(C(=O)c4ccc(C(=O)c5ccc(C)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of [4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenyl]-(4-methylphenyl)methanone?
The InChIKey is VWQKPGKZNNDJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26O5/c1-23-3-5-24(6-4-23)33(36)25-7-9-26(10-8-25)34(37)28-13-19-31(20-14-28)40-32-21-15-29(16-22-32)35(38)27-11-17-30(39-2)18-12-27/h3-22H,1-2H3.
What are the key properties of [4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenyl]-(4-methylphenyl)methanone?
[4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenyl]-(4-methylphenyl)methanone has a molecular weight of 526.59 g/mol, XLogP of 7.49, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenyl]-(4-methylphenyl)methanone is sourced from PubChem (CID 18683144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).