(3,4-dimethylphenyl)-[4-(4-methoxyphenoxy)-3-methylphenyl]methanone

C23H22O3 — CID 59022177

IUPAC(3,4-dimethylphenyl)-[4-(4-methoxyphenoxy)-3-methylphenyl]methanone
SMILESCOc1ccc(Oc2ccc(C(=O)c3ccc(C)c(C)c3)cc2C)cc1
InChIInChI=1S/C23H22O3/c1-15-5-6-18(13-16(15)2)23(24)19-7-12-22(17(3)14-19)26-21-10-8-20(25-4)9-11-21/h5-14H,1-4H3
InChIKeyRRVHUSFTURGDMT-UHFFFAOYSA-N
MW346.43 g/mol
LogP5.64
Rot. Bonds5

About (3,4-dimethylphenyl)-[4-(4-methoxyphenoxy)-3-methylphenyl]methanone

(3,4-dimethylphenyl)-[4-(4-methoxyphenoxy)-3-methylphenyl]methanone (PubChem CID 59022177) has the molecular formula C23H22O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-[4-(4-methoxyphenoxy)-3-methylphenyl]methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-[4-(4-methoxyphenoxy)-3-methylphenyl]methanone
PubChem CID59022177
Molecular FormulaC23H22O3
Molecular Weight346.43 g/mol
Exact Mass346.16
IUPAC Name(3,4-dimethylphenyl)-[4-(4-methoxyphenoxy)-3-methylphenyl]methanone
SMILESCOc1ccc(Oc2ccc(C(=O)c3ccc(C)c(C)c3)cc2C)cc1
InChIInChI=1S/C23H22O3/c1-15-5-6-18(13-16(15)2)23(24)19-7-12-22(17(3)14-19)26-21-10-8-20(25-4)9-11-21/h5-14H,1-4H3
InChIKeyRRVHUSFTURGDMT-UHFFFAOYSA-N
XLogP5.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dimethylphenyl)-(4-methoxy-3-methylphenyl)methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 162090190
[6-(3-methyl-4-phenoxybenzoyl)naphthalen-2-yl]-(3-methyl-4-phenoxyphenyl)methanone
CID 23054764
(3,4-dimethylphenyl)-[4-[4-[2-[4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]-3-methylphenyl]methanone;[4-[4-[2-[4-[4-(3,4-dimethylphenyl)sulfonyl-2-methylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]methanone;ethane;methane
CID 159868198
[4-[4-[2-[4-[4-(3,4-dimethylphenyl)sulfonyl-2-methylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]methanone
CID 59132534
[4-[4-(4-methoxyphenyl)phenoxy]-3-methylphenyl]-[4-[4-[4-(2,3,5,6-tetrafluoro-4-methylphenoxy)phenyl]phenoxy]phenyl]methanone
CID 58185833
bis(3,4-dimethylphenyl)methanone;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene
CID 159619159
methanesulfonyl chloride;[4-(4-methoxy-2-methylphenoxy)phenyl]-(4-methylphenyl)methanone
CID 90751241
(4-hydroxyphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 70142361
(4-cyclopropyloxyphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 114518942
methyl 4-[4-(4-methoxycarbonylphenoxy)-3-methylphenoxy]benzoate
CID 161428030
(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 81283370
sodium [4-[4-(4-methoxyphenyl)phenoxy]-3-methylphenyl]-[4-[4-[4-(2,3,5,6-tetrafluoro-4-methylphenoxy)phenyl]phenoxy]benzene-5-id-1-yl]methanone
CID 58185832

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-[4-(4-methoxyphenoxy)-3-methylphenyl]methanone?
The IUPAC name of (3,4-dimethylphenyl)-[4-(4-methoxyphenoxy)-3-methylphenyl]methanone (CID 59022177) is (3,4-dimethylphenyl)-[4-(4-methoxyphenoxy)-3-methylphenyl]methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-[4-(4-methoxyphenoxy)-3-methylphenyl]methanone?
The canonical SMILES for (3,4-dimethylphenyl)-[4-(4-methoxyphenoxy)-3-methylphenyl]methanone is COc1ccc(Oc2ccc(C(=O)c3ccc(C)c(C)c3)cc2C)cc1.
What is the InChIKey of (3,4-dimethylphenyl)-[4-(4-methoxyphenoxy)-3-methylphenyl]methanone?
The InChIKey is RRVHUSFTURGDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O3/c1-15-5-6-18(13-16(15)2)23(24)19-7-12-22(17(3)14-19)26-21-10-8-20(25-4)9-11-21/h5-14H,1-4H3.
What are the key properties of (3,4-dimethylphenyl)-[4-(4-methoxyphenoxy)-3-methylphenyl]methanone?
(3,4-dimethylphenyl)-[4-(4-methoxyphenoxy)-3-methylphenyl]methanone has a molecular weight of 346.43 g/mol, XLogP of 5.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-[4-(4-methoxyphenoxy)-3-methylphenyl]methanone is sourced from PubChem (CID 59022177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).