(4-tert-butyl-2,6-dimethylphenyl)methyl 2,5-dimethoxybenzoate

C22H28O4 — CID 7487725

IUPAC(4-tert-butyl-2,6-dimethylphenyl)methyl 2,5-dimethoxybenzoate
SMILESCOc1ccc(OC)c(C(=O)OCc2c(C)cc(C(C)(C)C)cc2C)c1
InChIInChI=1S/C22H28O4/c1-14-10-16(22(3,4)5)11-15(2)19(14)13-26-21(23)18-12-17(24-6)8-9-20(18)25-7/h8-12H,13H2,1-7H3
InChIKeyWEWBXPZWUHGFKI-UHFFFAOYSA-N
MW356.46 g/mol
LogP4.98
Rot. Bonds5

About (4-tert-butyl-2,6-dimethylphenyl)methyl 2,5-dimethoxybenzoate

(4-tert-butyl-2,6-dimethylphenyl)methyl 2,5-dimethoxybenzoate (PubChem CID 7487725) has the molecular formula C22H28O4 and a molecular weight of 356.46 g/mol. Its IUPAC name is (4-tert-butyl-2,6-dimethylphenyl)methyl 2,5-dimethoxybenzoate.

Molecular Properties

Compound Name(4-tert-butyl-2,6-dimethylphenyl)methyl 2,5-dimethoxybenzoate
PubChem CID7487725
Molecular FormulaC22H28O4
Molecular Weight356.46 g/mol
Exact Mass356.20
IUPAC Name(4-tert-butyl-2,6-dimethylphenyl)methyl 2,5-dimethoxybenzoate
SMILESCOc1ccc(OC)c(C(=O)OCc2c(C)cc(C(C)(C)C)cc2C)c1
InChIInChI=1S/C22H28O4/c1-14-10-16(22(3,4)5)11-15(2)19(14)13-26-21(23)18-12-17(24-6)8-9-20(18)25-7/h8-12H,13H2,1-7H3
InChIKeyWEWBXPZWUHGFKI-UHFFFAOYSA-N
XLogP4.98
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-tert-butyl-2,6-dimethylphenyl)methyl 2,6-dimethoxybenzoate
CID 3500563
(4-tert-butyl-2,6-dimethylphenyl)methyl 2-hydroxy-4-methylbenzoate
CID 4222789
(4-tert-butyl-2,6-dimethylphenyl)methyl 3,4,5-trimethoxybenzoate
CID 2425617
(4-bromophenyl)methyl 2,5-dimethoxybenzoate
CID 43024000
2-hydroxyethyl 2,5-dimethoxybenzoate
CID 116862870
(2,5-dimethoxybenzoyl) 2,5-dimethoxybenzoate
CID 122207257
(6,7-dimethyl-2-oxochromen-4-yl)methyl 2,5-dimethoxybenzoate
CID 7561182
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 7628154
N'-(4-tert-butylbenzoyl)-2,5-dimethoxybenzohydrazide
CID 8639762
2-amino-1-(2,5-dimethoxyphenyl)-2-methylbutan-1-one
CID 116590395
(4-tert-butyl-2,6-dimethylphenyl)methyl 3-hydroxybenzoate
CID 23850196
[2-(ethoxycarbonylamino)-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7561154

Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-2,6-dimethylphenyl)methyl 2,5-dimethoxybenzoate?
The IUPAC name of (4-tert-butyl-2,6-dimethylphenyl)methyl 2,5-dimethoxybenzoate (CID 7487725) is (4-tert-butyl-2,6-dimethylphenyl)methyl 2,5-dimethoxybenzoate.
What is the SMILES notation for (4-tert-butyl-2,6-dimethylphenyl)methyl 2,5-dimethoxybenzoate?
The canonical SMILES for (4-tert-butyl-2,6-dimethylphenyl)methyl 2,5-dimethoxybenzoate is COc1ccc(OC)c(C(=O)OCc2c(C)cc(C(C)(C)C)cc2C)c1.
What is the InChIKey of (4-tert-butyl-2,6-dimethylphenyl)methyl 2,5-dimethoxybenzoate?
The InChIKey is WEWBXPZWUHGFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O4/c1-14-10-16(22(3,4)5)11-15(2)19(14)13-26-21(23)18-12-17(24-6)8-9-20(18)25-7/h8-12H,13H2,1-7H3.
What are the key properties of (4-tert-butyl-2,6-dimethylphenyl)methyl 2,5-dimethoxybenzoate?
(4-tert-butyl-2,6-dimethylphenyl)methyl 2,5-dimethoxybenzoate has a molecular weight of 356.46 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-2,6-dimethylphenyl)methyl 2,5-dimethoxybenzoate is sourced from PubChem (CID 7487725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).