[4-(4-methylphenoxy)phenyl]-(4-phenoxyphenyl)methanone

C26H20O3 — CID 139804572

IUPAC[4-(4-methylphenoxy)phenyl]-(4-phenoxyphenyl)methanone
SMILESCc1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C26H20O3/c1-19-7-13-23(14-8-19)29-25-17-11-21(12-18-25)26(27)20-9-15-24(16-10-20)28-22-5-3-2-4-6-22/h2-18H,1H3
InChIKeyNDXUUBPSASDLCB-UHFFFAOYSA-N
MW380.44 g/mol
LogP6.81
Rot. Bonds6

About [4-(4-methylphenoxy)phenyl]-(4-phenoxyphenyl)methanone

[4-(4-methylphenoxy)phenyl]-(4-phenoxyphenyl)methanone (PubChem CID 139804572) has the molecular formula C26H20O3 and a molecular weight of 380.44 g/mol. Its IUPAC name is [4-(4-methylphenoxy)phenyl]-(4-phenoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(4-methylphenoxy)phenyl]-(4-phenoxyphenyl)methanone
PubChem CID139804572
Molecular FormulaC26H20O3
Molecular Weight380.44 g/mol
Exact Mass380.14
IUPAC Name[4-(4-methylphenoxy)phenyl]-(4-phenoxyphenyl)methanone
SMILESCc1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C26H20O3/c1-19-7-13-23(14-8-19)29-25-17-11-21(12-18-25)26(27)20-9-15-24(16-10-20)28-22-5-3-2-4-6-22/h2-18H,1H3
InChIKeyNDXUUBPSASDLCB-UHFFFAOYSA-N
XLogP6.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.44
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)methanone
CID 22389585
ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 142280871
[4-[3-[4-(4-methylbenzoyl)phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 90192164
(4-benzoylphenyl)-(4-methylphenyl)-(4-phenoxyphenyl)sulfanium
CID 171830981
(4-phenoxyphenyl)-[4-(4-phenoxyphenyl)phenyl]methanone
CID 134445747
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
[4-[4-[4-[4-[4-[4-[4-(4-methoxyphenoxy)benzoyl]phenoxy]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 20643575
(4-methylphenyl)-[4-(4-phenylmethoxyphenoxy)phenyl]methanone
CID 58133171
[3,5-bis(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 11571089
[4-[4-[4-[4-methyl-2-(4-phenoxybenzoyl)phenyl]benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 58846906
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
[4-[4-(3-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 20682561

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylphenoxy)phenyl]-(4-phenoxyphenyl)methanone?
The IUPAC name of [4-(4-methylphenoxy)phenyl]-(4-phenoxyphenyl)methanone (CID 139804572) is [4-(4-methylphenoxy)phenyl]-(4-phenoxyphenyl)methanone.
What is the SMILES notation for [4-(4-methylphenoxy)phenyl]-(4-phenoxyphenyl)methanone?
The canonical SMILES for [4-(4-methylphenoxy)phenyl]-(4-phenoxyphenyl)methanone is Cc1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccccc4)cc3)cc2)cc1.
What is the InChIKey of [4-(4-methylphenoxy)phenyl]-(4-phenoxyphenyl)methanone?
The InChIKey is NDXUUBPSASDLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20O3/c1-19-7-13-23(14-8-19)29-25-17-11-21(12-18-25)26(27)20-9-15-24(16-10-20)28-22-5-3-2-4-6-22/h2-18H,1H3.
What are the key properties of [4-(4-methylphenoxy)phenyl]-(4-phenoxyphenyl)methanone?
[4-(4-methylphenoxy)phenyl]-(4-phenoxyphenyl)methanone has a molecular weight of 380.44 g/mol, XLogP of 6.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphenoxy)phenyl]-(4-phenoxyphenyl)methanone is sourced from PubChem (CID 139804572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).