bis(4-methoxy-2-propan-2-ylphenyl)methanone

C21H26O3 — CID 139968368

IUPACbis(4-methoxy-2-propan-2-ylphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(OC)cc2C(C)C)c(C(C)C)c1
InChIInChI=1S/C21H26O3/c1-13(2)19-11-15(23-5)7-9-17(19)21(22)18-10-8-16(24-6)12-20(18)14(3)4/h7-14H,1-6H3
InChIKeyRJYSLGZOSNHUKJ-UHFFFAOYSA-N
MW326.44 g/mol
LogP5.18
Rot. Bonds6

About bis(4-methoxy-2-propan-2-ylphenyl)methanone

bis(4-methoxy-2-propan-2-ylphenyl)methanone (PubChem CID 139968368) has the molecular formula C21H26O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is bis(4-methoxy-2-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Namebis(4-methoxy-2-propan-2-ylphenyl)methanone
PubChem CID139968368
Molecular FormulaC21H26O3
Molecular Weight326.44 g/mol
Exact Mass326.19
IUPAC Namebis(4-methoxy-2-propan-2-ylphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(OC)cc2C(C)C)c(C(C)C)c1
InChIInChI=1S/C21H26O3/c1-13(2)19-11-15(23-5)7-9-17(19)21(22)18-10-8-16(24-6)12-20(18)14(3)4/h7-14H,1-6H3
InChIKeyRJYSLGZOSNHUKJ-UHFFFAOYSA-N
XLogP5.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-methoxy-2-propan-2-ylphenyl)-5-oxopentanoic acid
CID 82054166
2-(4-methoxy-2-propan-2-ylphenyl)acetic acid
CID 82054161
1-(4-methoxy-2-propan-2-ylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93193900
(4-methoxyphenyl)-(2-propan-2-ylphenyl)methanone
CID 23404431
4-methoxy-2-propan-2-ylbenzenethiol
CID 130435899
bis(4-methoxy-2-propan-2-ylphenyl)iodanium
CID 87757693
(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 8569
3-(2,5-dimethoxyphenyl)pentane-2,4-dione
CID 98661157
[2-(2-acetyloxy-4-methoxybenzoyl)-5-methoxyphenyl] acetate
CID 121279078
2-propan-2-yl-4-tri(propan-2-yl)silyloxybenzoic acid
CID 90905151
4-(2-methylpropoxy)-2-propan-2-ylbenzoic acid
CID 155925871
dimethyl 2-(2,5-dimethoxyphenyl)propanedioate
CID 94278774

Frequently Asked Questions

What is the IUPAC name of bis(4-methoxy-2-propan-2-ylphenyl)methanone?
The IUPAC name of bis(4-methoxy-2-propan-2-ylphenyl)methanone (CID 139968368) is bis(4-methoxy-2-propan-2-ylphenyl)methanone.
What is the SMILES notation for bis(4-methoxy-2-propan-2-ylphenyl)methanone?
The canonical SMILES for bis(4-methoxy-2-propan-2-ylphenyl)methanone is COc1ccc(C(=O)c2ccc(OC)cc2C(C)C)c(C(C)C)c1.
What is the InChIKey of bis(4-methoxy-2-propan-2-ylphenyl)methanone?
The InChIKey is RJYSLGZOSNHUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O3/c1-13(2)19-11-15(23-5)7-9-17(19)21(22)18-10-8-16(24-6)12-20(18)14(3)4/h7-14H,1-6H3.
What are the key properties of bis(4-methoxy-2-propan-2-ylphenyl)methanone?
bis(4-methoxy-2-propan-2-ylphenyl)methanone has a molecular weight of 326.44 g/mol, XLogP of 5.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methoxy-2-propan-2-ylphenyl)methanone is sourced from PubChem (CID 139968368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).