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

C21H18O2 — CID 22389585

IUPAC[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)methanone
SMILESCc1ccc(Oc2ccc(C(=O)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C21H18O2/c1-15-3-7-17(8-4-15)21(22)18-9-13-20(14-10-18)23-19-11-5-16(2)6-12-19/h3-14H,1-2H3
InChIKeyCEYYSMPBKHJBLH-UHFFFAOYSA-N
MW302.37 g/mol
LogP5.33
Rot. Bonds4

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

[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)methanone (PubChem CID 22389585) has the molecular formula C21H18O2 and a molecular weight of 302.37 g/mol. Its IUPAC name is [4-(4-methylphenoxy)phenyl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)methanone
PubChem CID22389585
Molecular FormulaC21H18O2
Molecular Weight302.37 g/mol
Exact Mass302.13
IUPAC Name[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)methanone
SMILESCc1ccc(Oc2ccc(C(=O)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C21H18O2/c1-15-3-7-17(8-4-15)21(22)18-9-13-20(14-10-18)23-19-11-5-16(2)6-12-19/h3-14H,1-2H3
InChIKeyCEYYSMPBKHJBLH-UHFFFAOYSA-N
XLogP5.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.37
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[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-[3-[4-(4-methylbenzoyl)phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 90192164
(4-methylphenyl)-[4-[4-[4-[(4-methylphenyl)methyl]phenoxy]phenoxy]phenyl]methanone
CID 58983765
1-[3-acetyl-5-[4-[4-(4-methylphenoxy)phenoxy]benzoyl]phenyl]ethanone
CID 118516092
(4-methoxyphenyl)-(4-methylphenyl)methanone;1-[4-[4-(4-methylphenoxy)benzoyl]phenyl]ethanone
CID 145054271
ethane;[4-(4-hydroxyphenoxy)phenyl]-(4-methylphenyl)methanone;2-methylpropane
CID 144963303
bis[4-[4-(3,5-dimethylphenoxy)phenoxy]phenyl]methanone
CID 118474101
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
(4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone
CID 58399730
[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-[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

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylphenoxy)phenyl]-(4-methylphenyl)methanone?
The IUPAC name of [4-(4-methylphenoxy)phenyl]-(4-methylphenyl)methanone (CID 22389585) is [4-(4-methylphenoxy)phenyl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-(4-methylphenoxy)phenyl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-(4-methylphenoxy)phenyl]-(4-methylphenyl)methanone is Cc1ccc(Oc2ccc(C(=O)c3ccc(C)cc3)cc2)cc1.
What is the InChIKey of [4-(4-methylphenoxy)phenyl]-(4-methylphenyl)methanone?
The InChIKey is CEYYSMPBKHJBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O2/c1-15-3-7-17(8-4-15)21(22)18-9-13-20(14-10-18)23-19-11-5-16(2)6-12-19/h3-14H,1-2H3.
What are the key properties of [4-(4-methylphenoxy)phenyl]-(4-methylphenyl)methanone?
[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)methanone has a molecular weight of 302.37 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphenoxy)phenyl]-(4-methylphenyl)methanone is sourced from PubChem (CID 22389585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).