[2-[4-(4-methoxyphenyl)phenoxy]-5-methylphenyl]-[4-(4-phenoxyphenoxy)phenyl]methanone

C39H30O5 — CID 58858848

IUPAC[2-[4-(4-methoxyphenyl)phenoxy]-5-methylphenyl]-[4-(4-phenoxyphenoxy)phenyl]methanone
SMILESCOc1ccc(-c2ccc(Oc3ccc(C)cc3C(=O)c3ccc(Oc4ccc(Oc5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C39H30O5/c1-27-8-25-38(44-36-17-11-29(12-18-36)28-9-15-31(41-2)16-10-28)37(26-27)39(40)30-13-19-33(20-14-30)43-35-23-21-34(22-24-35)42-32-6-4-3-5-7-32/h3-26H,1-2H3
InChIKeyDKOWICDASWAFSP-UHFFFAOYSA-N
MW578.66 g/mol
LogP10.28
Rot. Bonds10

About [2-[4-(4-methoxyphenyl)phenoxy]-5-methylphenyl]-[4-(4-phenoxyphenoxy)phenyl]methanone

[2-[4-(4-methoxyphenyl)phenoxy]-5-methylphenyl]-[4-(4-phenoxyphenoxy)phenyl]methanone (PubChem CID 58858848) has the molecular formula C39H30O5 and a molecular weight of 578.66 g/mol. Its IUPAC name is [2-[4-(4-methoxyphenyl)phenoxy]-5-methylphenyl]-[4-(4-phenoxyphenoxy)phenyl]methanone.

Molecular Properties

Compound Name[2-[4-(4-methoxyphenyl)phenoxy]-5-methylphenyl]-[4-(4-phenoxyphenoxy)phenyl]methanone
PubChem CID58858848
Molecular FormulaC39H30O5
Molecular Weight578.66 g/mol
Exact Mass578.21
IUPAC Name[2-[4-(4-methoxyphenyl)phenoxy]-5-methylphenyl]-[4-(4-phenoxyphenoxy)phenyl]methanone
SMILESCOc1ccc(-c2ccc(Oc3ccc(C)cc3C(=O)c3ccc(Oc4ccc(Oc5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C39H30O5/c1-27-8-25-38(44-36-17-11-29(12-18-36)28-9-15-31(41-2)16-10-28)37(26-27)39(40)30-13-19-33(20-14-30)43-35-23-21-34(22-24-35)42-32-6-4-3-5-7-32/h3-26H,1-2H3
InChIKeyDKOWICDASWAFSP-UHFFFAOYSA-N
XLogP10.28
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.66
LogP ≤ 510.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-[4-(4-methoxyphenyl)phenoxy]-5-methylphenyl]-[4-(4-phenoxyphenoxy)phenyl]methanone with MolForge

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Related Compounds

[4-[4-[4-[4-methyl-2-(4-phenoxybenzoyl)phenyl]benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 58846906
(4-methoxyphenyl)-[4-(4-phenylphenoxy)phenyl]methanone
CID 146206951
[4-(4-methylphenoxy)phenyl]-(4-phenoxyphenyl)methanone
CID 139804572
[4-[4-[4-[4-[4-[4-[4-(4-methoxyphenoxy)benzoyl]phenoxy]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 20643575
[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-[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-[3-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone;(4-methoxyphenyl)-[4-[4-(4-methylphenoxy)benzoyl]phenyl]methanone
CID 160674185
[4-[4-(3-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 20682561
2-(4-methoxybenzoyl)-4-methylbenzoic acid
CID 69212990
(4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone
CID 58399730
(4-phenoxyphenyl)-[4-(4-phenoxyphenyl)phenyl]methanone
CID 134445747
methane;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 161368875

Frequently Asked Questions

What is the IUPAC name of [2-[4-(4-methoxyphenyl)phenoxy]-5-methylphenyl]-[4-(4-phenoxyphenoxy)phenyl]methanone?
The IUPAC name of [2-[4-(4-methoxyphenyl)phenoxy]-5-methylphenyl]-[4-(4-phenoxyphenoxy)phenyl]methanone (CID 58858848) is [2-[4-(4-methoxyphenyl)phenoxy]-5-methylphenyl]-[4-(4-phenoxyphenoxy)phenyl]methanone.
What is the SMILES notation for [2-[4-(4-methoxyphenyl)phenoxy]-5-methylphenyl]-[4-(4-phenoxyphenoxy)phenyl]methanone?
The canonical SMILES for [2-[4-(4-methoxyphenyl)phenoxy]-5-methylphenyl]-[4-(4-phenoxyphenoxy)phenyl]methanone is COc1ccc(-c2ccc(Oc3ccc(C)cc3C(=O)c3ccc(Oc4ccc(Oc5ccccc5)cc4)cc3)cc2)cc1.
What is the InChIKey of [2-[4-(4-methoxyphenyl)phenoxy]-5-methylphenyl]-[4-(4-phenoxyphenoxy)phenyl]methanone?
The InChIKey is DKOWICDASWAFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H30O5/c1-27-8-25-38(44-36-17-11-29(12-18-36)28-9-15-31(41-2)16-10-28)37(26-27)39(40)30-13-19-33(20-14-30)43-35-23-21-34(22-24-35)42-32-6-4-3-5-7-32/h3-26H,1-2H3.
What are the key properties of [2-[4-(4-methoxyphenyl)phenoxy]-5-methylphenyl]-[4-(4-phenoxyphenoxy)phenyl]methanone?
[2-[4-(4-methoxyphenyl)phenoxy]-5-methylphenyl]-[4-(4-phenoxyphenoxy)phenyl]methanone has a molecular weight of 578.66 g/mol, XLogP of 10.28, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(4-methoxyphenyl)phenoxy]-5-methylphenyl]-[4-(4-phenoxyphenoxy)phenyl]methanone is sourced from PubChem (CID 58858848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).