(4,5-dimethoxy-2-methylphenyl)methyl 2-(4-methylbenzoyl)benzoate

C25H24O5 — CID 7718092

IUPAC(4,5-dimethoxy-2-methylphenyl)methyl 2-(4-methylbenzoyl)benzoate
SMILESCOc1cc(C)c(COC(=O)c2ccccc2C(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C25H24O5/c1-16-9-11-18(12-10-16)24(26)20-7-5-6-8-21(20)25(27)30-15-19-14-23(29-4)22(28-3)13-17(19)2/h5-14H,15H2,1-4H3
InChIKeyTYZWTKDYVIQZPL-UHFFFAOYSA-N
MW404.46 g/mol
LogP4.91
Rot. Bonds7

About (4,5-dimethoxy-2-methylphenyl)methyl 2-(4-methylbenzoyl)benzoate

(4,5-dimethoxy-2-methylphenyl)methyl 2-(4-methylbenzoyl)benzoate (PubChem CID 7718092) has the molecular formula C25H24O5 and a molecular weight of 404.46 g/mol. Its IUPAC name is (4,5-dimethoxy-2-methylphenyl)methyl 2-(4-methylbenzoyl)benzoate.

Molecular Properties

Compound Name(4,5-dimethoxy-2-methylphenyl)methyl 2-(4-methylbenzoyl)benzoate
PubChem CID7718092
Molecular FormulaC25H24O5
Molecular Weight404.46 g/mol
Exact Mass404.16
IUPAC Name(4,5-dimethoxy-2-methylphenyl)methyl 2-(4-methylbenzoyl)benzoate
SMILESCOc1cc(C)c(COC(=O)c2ccccc2C(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C25H24O5/c1-16-9-11-18(12-10-16)24(26)20-7-5-6-8-21(20)25(27)30-15-19-14-23(29-4)22(28-3)13-17(19)2/h5-14H,15H2,1-4H3
InChIKeyTYZWTKDYVIQZPL-UHFFFAOYSA-N
XLogP4.91
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methylphenyl)methyl 2-(4-methylbenzoyl)benzoate
CID 7718093
(2,5-dimethylphenyl)methyl 2-(4-chlorobenzoyl)benzoate
CID 7891565
methyl 3-[[2-(4-methylbenzoyl)benzoyl]oxymethyl]furan-2-carboxylate
CID 18122257
methyl 3-methyl-5-[[2-(4-methylbenzoyl)benzoyl]oxymethyl]furan-2-carboxylate
CID 46600954
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2605537
(2-amino-2-oxoethyl) 2-(4-methylbenzoyl)benzoate
CID 2370634
(4,5-dimethoxy-2-methylphenyl)methyl 3-bromobenzoate
CID 7663223
(4,5-dimethoxy-2-methylphenyl)methyl 5-chloro-2-fluorobenzoate
CID 8620660
(4,5-dimethoxy-2-methylphenyl)methyl 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoate
CID 7605434
(2-methoxy-5-methylphenyl)methyl 2-aminobenzoate
CID 60730510
[2-(2-methylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2353601
1-O-ethyl 2-O-[(2-methoxyphenyl)methyl] benzene-1,2-dicarboxylate
CID 91719915

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethoxy-2-methylphenyl)methyl 2-(4-methylbenzoyl)benzoate?
The IUPAC name of (4,5-dimethoxy-2-methylphenyl)methyl 2-(4-methylbenzoyl)benzoate (CID 7718092) is (4,5-dimethoxy-2-methylphenyl)methyl 2-(4-methylbenzoyl)benzoate.
What is the SMILES notation for (4,5-dimethoxy-2-methylphenyl)methyl 2-(4-methylbenzoyl)benzoate?
The canonical SMILES for (4,5-dimethoxy-2-methylphenyl)methyl 2-(4-methylbenzoyl)benzoate is COc1cc(C)c(COC(=O)c2ccccc2C(=O)c2ccc(C)cc2)cc1OC.
What is the InChIKey of (4,5-dimethoxy-2-methylphenyl)methyl 2-(4-methylbenzoyl)benzoate?
The InChIKey is TYZWTKDYVIQZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O5/c1-16-9-11-18(12-10-16)24(26)20-7-5-6-8-21(20)25(27)30-15-19-14-23(29-4)22(28-3)13-17(19)2/h5-14H,15H2,1-4H3.
What are the key properties of (4,5-dimethoxy-2-methylphenyl)methyl 2-(4-methylbenzoyl)benzoate?
(4,5-dimethoxy-2-methylphenyl)methyl 2-(4-methylbenzoyl)benzoate has a molecular weight of 404.46 g/mol, XLogP of 4.91, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethoxy-2-methylphenyl)methyl 2-(4-methylbenzoyl)benzoate is sourced from PubChem (CID 7718092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).