bis(2,4-dimethoxy-6-methylphenyl)methanone

C19H22O5 — CID 54389353

IUPACbis(2,4-dimethoxy-6-methylphenyl)methanone
SMILESCOc1cc(C)c(C(=O)c2c(C)cc(OC)cc2OC)c(OC)c1
InChIInChI=1S/C19H22O5/c1-11-7-13(21-3)9-15(23-5)17(11)19(20)18-12(2)8-14(22-4)10-16(18)24-6/h7-10H,1-6H3
InChIKeyVFNFFAGDMWMUID-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.57
Rot. Bonds6

About bis(2,4-dimethoxy-6-methylphenyl)methanone

bis(2,4-dimethoxy-6-methylphenyl)methanone (PubChem CID 54389353) has the molecular formula C19H22O5 and a molecular weight of 330.38 g/mol. Its IUPAC name is bis(2,4-dimethoxy-6-methylphenyl)methanone.

Molecular Properties

Compound Namebis(2,4-dimethoxy-6-methylphenyl)methanone
PubChem CID54389353
Molecular FormulaC19H22O5
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Namebis(2,4-dimethoxy-6-methylphenyl)methanone
SMILESCOc1cc(C)c(C(=O)c2c(C)cc(OC)cc2OC)c(OC)c1
InChIInChI=1S/C19H22O5/c1-11-7-13(21-3)9-15(23-5)17(11)19(20)18-12(2)8-14(22-4)10-16(18)24-6/h7-10H,1-6H3
InChIKeyVFNFFAGDMWMUID-UHFFFAOYSA-N
XLogP3.57
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,6-dihydroxy-4-methoxyphenyl)-(4-hydroxy-2-methoxy-6-methylphenyl)methanone
CID 23757122
2-(2,4-dimethoxy-6-methylphenyl)prop-2-enoic acid
CID 116843073
4-methoxy-2,6-dimethylbenzoyl chloride
CID 12624144
1-(2,4,6-trimethoxyphenyl)prop-2-yn-1-one
CID 119085445
4-(2,4-dimethoxy-6-methylphenyl)-4-oxobutanenitrile
CID 116862133
4-amino-1-(2,4-dimethoxy-6-methylphenyl)-2,2-dimethylbutan-1-one
CID 116916392
2-[[2-(2,4-dimethoxy-6-methylbenzoyl)-3-methoxyphenyl]methyl]-6-methoxypyran-4-one
CID 20645510
1-(2,4-dimethoxy-6-methylphenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 71963848
2-(2,4-dimethoxy-6-methylbenzoyl)butanenitrile
CID 116923746
2-oxo-2-(2,4,6-trimethoxyphenyl)acetaldehyde
CID 7578619
methyl 2-iodo-4-methoxy-6-methylbenzoate
CID 131351829
3-(2,4-dimethoxy-6-methylbenzoyl)oxetane-3-carbonitrile
CID 116922317

Frequently Asked Questions

What is the IUPAC name of bis(2,4-dimethoxy-6-methylphenyl)methanone?
The IUPAC name of bis(2,4-dimethoxy-6-methylphenyl)methanone (CID 54389353) is bis(2,4-dimethoxy-6-methylphenyl)methanone.
What is the SMILES notation for bis(2,4-dimethoxy-6-methylphenyl)methanone?
The canonical SMILES for bis(2,4-dimethoxy-6-methylphenyl)methanone is COc1cc(C)c(C(=O)c2c(C)cc(OC)cc2OC)c(OC)c1.
What is the InChIKey of bis(2,4-dimethoxy-6-methylphenyl)methanone?
The InChIKey is VFNFFAGDMWMUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O5/c1-11-7-13(21-3)9-15(23-5)17(11)19(20)18-12(2)8-14(22-4)10-16(18)24-6/h7-10H,1-6H3.
What are the key properties of bis(2,4-dimethoxy-6-methylphenyl)methanone?
bis(2,4-dimethoxy-6-methylphenyl)methanone has a molecular weight of 330.38 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4-dimethoxy-6-methylphenyl)methanone is sourced from PubChem (CID 54389353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).