bis(2-methoxy-4-methylphenyl) benzene-1,4-dicarboxylate

C24H22O6 — CID 121297333

IUPACbis(2-methoxy-4-methylphenyl) benzene-1,4-dicarboxylate
SMILESCOc1cc(C)ccc1OC(=O)c1ccc(C(=O)Oc2ccc(C)cc2OC)cc1
InChIInChI=1S/C24H22O6/c1-15-5-11-19(21(13-15)27-3)29-23(25)17-7-9-18(10-8-17)24(26)30-20-12-6-16(2)14-22(20)28-4/h5-14H,1-4H3
InChIKeyGKZWHOOXIRFAFG-UHFFFAOYSA-N
MW406.43 g/mol
LogP4.76
Rot. Bonds6

About bis(2-methoxy-4-methylphenyl) benzene-1,4-dicarboxylate

bis(2-methoxy-4-methylphenyl) benzene-1,4-dicarboxylate (PubChem CID 121297333) has the molecular formula C24H22O6 and a molecular weight of 406.43 g/mol. Its IUPAC name is bis(2-methoxy-4-methylphenyl) benzene-1,4-dicarboxylate.

Molecular Properties

Compound Namebis(2-methoxy-4-methylphenyl) benzene-1,4-dicarboxylate
PubChem CID121297333
Molecular FormulaC24H22O6
Molecular Weight406.43 g/mol
Exact Mass406.14
IUPAC Namebis(2-methoxy-4-methylphenyl) benzene-1,4-dicarboxylate
SMILESCOc1cc(C)ccc1OC(=O)c1ccc(C(=O)Oc2ccc(C)cc2OC)cc1
InChIInChI=1S/C24H22O6/c1-15-5-11-19(21(13-15)27-3)29-23(25)17-7-9-18(10-8-17)24(26)30-20-12-6-16(2)14-22(20)28-4/h5-14H,1-4H3
InChIKeyGKZWHOOXIRFAFG-UHFFFAOYSA-N
XLogP4.76
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[3-methoxy-4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
CID 118547379
(2-methoxy-4-methylphenyl) 4-(difluoromethoxy)benzoate
CID 78780409
(2-methoxy-4-methylphenyl) 1-methylpyrazole-4-carboxylate
CID 47118840
(2-methoxy-4-methylphenyl) 4-(furan-2-carbonylamino)benzoate
CID 51205552
[2-(4-ethoxybenzoyl)oxy-4-methylphenyl] 4-ethoxybenzoate
CID 89316191
[4-(2,4-dimethylphenoxy)carbonylphenyl] 4-methoxybenzoate;sulfane
CID 144914302
[4-(5-carbamoyl-2H-triazol-4-yl)-2-methoxyphenyl] 4-methylbenzoate
CID 169403764
(4-acetyl-2-methoxyphenyl) 4-bromobenzoate
CID 7658775
(2-methoxy-4-methylphenyl) 2-ethylbenzoate
CID 176892654
(5-methyl-2-propan-2-ylphenyl) 3-iodo-4-methoxybenzoate
CID 23010933
(2,5-dimethylphenyl) 4-fluorobenzoate
CID 837736
(2-acetyl-3-methoxyphenyl) 4-methylbenzoate
CID 10334058

Frequently Asked Questions

What is the IUPAC name of bis(2-methoxy-4-methylphenyl) benzene-1,4-dicarboxylate?
The IUPAC name of bis(2-methoxy-4-methylphenyl) benzene-1,4-dicarboxylate (CID 121297333) is bis(2-methoxy-4-methylphenyl) benzene-1,4-dicarboxylate.
What is the SMILES notation for bis(2-methoxy-4-methylphenyl) benzene-1,4-dicarboxylate?
The canonical SMILES for bis(2-methoxy-4-methylphenyl) benzene-1,4-dicarboxylate is COc1cc(C)ccc1OC(=O)c1ccc(C(=O)Oc2ccc(C)cc2OC)cc1.
What is the InChIKey of bis(2-methoxy-4-methylphenyl) benzene-1,4-dicarboxylate?
The InChIKey is GKZWHOOXIRFAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O6/c1-15-5-11-19(21(13-15)27-3)29-23(25)17-7-9-18(10-8-17)24(26)30-20-12-6-16(2)14-22(20)28-4/h5-14H,1-4H3.
What are the key properties of bis(2-methoxy-4-methylphenyl) benzene-1,4-dicarboxylate?
bis(2-methoxy-4-methylphenyl) benzene-1,4-dicarboxylate has a molecular weight of 406.43 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methoxy-4-methylphenyl) benzene-1,4-dicarboxylate is sourced from PubChem (CID 121297333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).