[2-(2,6-dimethoxy-3,5-dimethylbenzoyl)phenyl]-(2,4,6-trimethoxyphenyl)methanone

C27H28O7 — CID 141015987

IUPAC[2-(2,6-dimethoxy-3,5-dimethylbenzoyl)phenyl]-(2,4,6-trimethoxyphenyl)methanone
SMILESCOc1cc(OC)c(C(=O)c2ccccc2C(=O)c2c(OC)c(C)cc(C)c2OC)c(OC)c1
InChIInChI=1S/C27H28O7/c1-15-12-16(2)27(34-7)23(26(15)33-6)25(29)19-11-9-8-10-18(19)24(28)22-20(31-4)13-17(30-3)14-21(22)32-5/h8-14H,1-7H3
InChIKeyQNPLWLSXRGELSX-UHFFFAOYSA-N
MW464.51 g/mol
LogP4.81
Rot. Bonds9

About [2-(2,6-dimethoxy-3,5-dimethylbenzoyl)phenyl]-(2,4,6-trimethoxyphenyl)methanone

[2-(2,6-dimethoxy-3,5-dimethylbenzoyl)phenyl]-(2,4,6-trimethoxyphenyl)methanone (PubChem CID 141015987) has the molecular formula C27H28O7 and a molecular weight of 464.51 g/mol. Its IUPAC name is [2-(2,6-dimethoxy-3,5-dimethylbenzoyl)phenyl]-(2,4,6-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(2,6-dimethoxy-3,5-dimethylbenzoyl)phenyl]-(2,4,6-trimethoxyphenyl)methanone
PubChem CID141015987
Molecular FormulaC27H28O7
Molecular Weight464.51 g/mol
Exact Mass464.18
IUPAC Name[2-(2,6-dimethoxy-3,5-dimethylbenzoyl)phenyl]-(2,4,6-trimethoxyphenyl)methanone
SMILESCOc1cc(OC)c(C(=O)c2ccccc2C(=O)c2c(OC)c(C)cc(C)c2OC)c(OC)c1
InChIInChI=1S/C27H28O7/c1-15-12-16(2)27(34-7)23(26(15)33-6)25(29)19-11-9-8-10-18(19)24(28)22-20(31-4)13-17(30-3)14-21(22)32-5/h8-14H,1-7H3
InChIKeyQNPLWLSXRGELSX-UHFFFAOYSA-N
XLogP4.81
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.51
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2,6-dimethoxyphenyl)-(2,4,5-trimethylphenyl)methanone
CID 112698836
oxo-(2,4,6-trimethoxybenzoyl)-[2-(2,3,6-trimethoxybenzoyl)phenyl]phosphanium
CID 173245628
bis(2,4-dimethoxy-6-methylphenyl)methanone
CID 54389353
bis[3-(2,6-dimethoxybenzoyl)-2,5-dimethoxybenzoyl]-oxophosphanium
CID 175195263
methyl 2-(2,3,6-trimethoxybenzoyl)benzoate
CID 10640148
methyl 2-(2,6-dimethoxybenzoyl)benzoate
CID 71397959
(2,6-dimethylphenyl)-(2-methoxyphenyl)methanone
CID 24722767
(2,6-dimethoxy-3,5-dimethylphenyl)-phosphanylmethanone
CID 159041821
thiophen-2-yl-(2,4,6-trimethoxyphenyl)methanone
CID 93191545
2,5-dimethoxy-3,6-dimethylbenzoic acid
CID 23538696
(2,3-dimethoxyphenyl)-(2-methoxyphenyl)methanone
CID 67592746
[2-(3-bromo-2,5,6-trimethoxybenzoyl)phenyl]-(2,6-dichlorophenyl)methanone
CID 141016409

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethoxy-3,5-dimethylbenzoyl)phenyl]-(2,4,6-trimethoxyphenyl)methanone?
The IUPAC name of [2-(2,6-dimethoxy-3,5-dimethylbenzoyl)phenyl]-(2,4,6-trimethoxyphenyl)methanone (CID 141015987) is [2-(2,6-dimethoxy-3,5-dimethylbenzoyl)phenyl]-(2,4,6-trimethoxyphenyl)methanone.
What is the SMILES notation for [2-(2,6-dimethoxy-3,5-dimethylbenzoyl)phenyl]-(2,4,6-trimethoxyphenyl)methanone?
The canonical SMILES for [2-(2,6-dimethoxy-3,5-dimethylbenzoyl)phenyl]-(2,4,6-trimethoxyphenyl)methanone is COc1cc(OC)c(C(=O)c2ccccc2C(=O)c2c(OC)c(C)cc(C)c2OC)c(OC)c1.
What is the InChIKey of [2-(2,6-dimethoxy-3,5-dimethylbenzoyl)phenyl]-(2,4,6-trimethoxyphenyl)methanone?
The InChIKey is QNPLWLSXRGELSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28O7/c1-15-12-16(2)27(34-7)23(26(15)33-6)25(29)19-11-9-8-10-18(19)24(28)22-20(31-4)13-17(30-3)14-21(22)32-5/h8-14H,1-7H3.
What are the key properties of [2-(2,6-dimethoxy-3,5-dimethylbenzoyl)phenyl]-(2,4,6-trimethoxyphenyl)methanone?
[2-(2,6-dimethoxy-3,5-dimethylbenzoyl)phenyl]-(2,4,6-trimethoxyphenyl)methanone has a molecular weight of 464.51 g/mol, XLogP of 4.81, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethoxy-3,5-dimethylbenzoyl)phenyl]-(2,4,6-trimethoxyphenyl)methanone is sourced from PubChem (CID 141015987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).