(3,4-dimethylphenyl)-(4-phenoxyphenyl)methanone

C21H18O2 — CID 3342765

IUPAC(3,4-dimethylphenyl)-(4-phenoxyphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(Oc3ccccc3)cc2)cc1C
InChIInChI=1S/C21H18O2/c1-15-8-9-18(14-16(15)2)21(22)17-10-12-20(13-11-17)23-19-6-4-3-5-7-19/h3-14H,1-2H3
InChIKeyWAJARHMGAQFYHB-UHFFFAOYSA-N
MW302.37 g/mol
LogP5.33
Rot. Bonds4

About (3,4-dimethylphenyl)-(4-phenoxyphenyl)methanone

(3,4-dimethylphenyl)-(4-phenoxyphenyl)methanone (PubChem CID 3342765) has the molecular formula C21H18O2 and a molecular weight of 302.37 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-(4-phenoxyphenyl)methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-(4-phenoxyphenyl)methanone
PubChem CID3342765
Molecular FormulaC21H18O2
Molecular Weight302.37 g/mol
Exact Mass302.13
IUPAC Name(3,4-dimethylphenyl)-(4-phenoxyphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(Oc3ccccc3)cc2)cc1C
InChIInChI=1S/C21H18O2/c1-15-8-9-18(14-16(15)2)21(22)17-10-12-20(13-11-17)23-19-6-4-3-5-7-19/h3-14H,1-2H3
InChIKeyWAJARHMGAQFYHB-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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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-(4-phenoxyphenyl)methanone?
The IUPAC name of (3,4-dimethylphenyl)-(4-phenoxyphenyl)methanone (CID 3342765) is (3,4-dimethylphenyl)-(4-phenoxyphenyl)methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-(4-phenoxyphenyl)methanone?
The canonical SMILES for (3,4-dimethylphenyl)-(4-phenoxyphenyl)methanone is Cc1ccc(C(=O)c2ccc(Oc3ccccc3)cc2)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-(4-phenoxyphenyl)methanone?
The InChIKey is WAJARHMGAQFYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O2/c1-15-8-9-18(14-16(15)2)21(22)17-10-12-20(13-11-17)23-19-6-4-3-5-7-19/h3-14H,1-2H3.
What are the key properties of (3,4-dimethylphenyl)-(4-phenoxyphenyl)methanone?
(3,4-dimethylphenyl)-(4-phenoxyphenyl)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 (3,4-dimethylphenyl)-(4-phenoxyphenyl)methanone is sourced from PubChem (CID 3342765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).