methyl 4-formyl-3-[4-(methoxymethoxy)-2,6-dimethylphenyl]benzoate

C19H20O5 — CID 59342554

IUPACmethyl 4-formyl-3-[4-(methoxymethoxy)-2,6-dimethylphenyl]benzoate
SMILESCOCOc1cc(C)c(-c2cc(C(=O)OC)ccc2C=O)c(C)c1
InChIInChI=1S/C19H20O5/c1-12-7-16(24-11-22-3)8-13(2)18(12)17-9-14(19(21)23-4)5-6-15(17)10-20/h5-10H,11H2,1-4H3
InChIKeyUFFNAWORVLTXDS-UHFFFAOYSA-N
MW328.36 g/mol
LogP3.55
Rot. Bonds6

About methyl 4-formyl-3-[4-(methoxymethoxy)-2,6-dimethylphenyl]benzoate

methyl 4-formyl-3-[4-(methoxymethoxy)-2,6-dimethylphenyl]benzoate (PubChem CID 59342554) has the molecular formula C19H20O5 and a molecular weight of 328.36 g/mol. Its IUPAC name is methyl 4-formyl-3-[4-(methoxymethoxy)-2,6-dimethylphenyl]benzoate.

Molecular Properties

Compound Namemethyl 4-formyl-3-[4-(methoxymethoxy)-2,6-dimethylphenyl]benzoate
PubChem CID59342554
Molecular FormulaC19H20O5
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Namemethyl 4-formyl-3-[4-(methoxymethoxy)-2,6-dimethylphenyl]benzoate
SMILESCOCOc1cc(C)c(-c2cc(C(=O)OC)ccc2C=O)c(C)c1
InChIInChI=1S/C19H20O5/c1-12-7-16(24-11-22-3)8-13(2)18(12)17-9-14(19(21)23-4)5-6-15(17)10-20/h5-10H,11H2,1-4H3
InChIKeyUFFNAWORVLTXDS-UHFFFAOYSA-N
XLogP3.55
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[2-(2-hydroxy-2-methylpropyl)-4-methoxy-6-methylphenyl]-3-(methoxymethoxy)benzoate
CID 118619147
methyl 4-formyl-3-iodobenzoate
CID 131403378
methyl 2,4-bis(methoxymethoxy)-6-methylbenzoate
CID 59467126
methyl 3-(bromomethyl)-4-formylbenzoate
CID 88552817
methyl 4-ethyl-3-formylbenzoate
CID 91332052
methyl 3-formyl-4-(4-methylphenyl)benzoate
CID 156580319
methyl 3-ethyl-5-(methoxymethoxy)benzoate
CID 59017125
2-bromo-4-(methoxymethoxy)benzaldehyde
CID 24829119
methyl 3-fluoro-4-(methoxymethoxy)-5-methylbenzoate
CID 58629751
methyl 3-formyl-4-[3-(hydroxymethyl)-5-methoxycarbonylphenyl]benzoate
CID 132602241
methyl 13-(3-ethylsulfonylpropoxy)-15-methyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-4-carboxylate
CID 118630012
methoxymethane;methyl 5-[3-(4-formyl-3-methylphenoxy)propoxy]-2-methylbenzoate
CID 171810853

Frequently Asked Questions

What is the IUPAC name of methyl 4-formyl-3-[4-(methoxymethoxy)-2,6-dimethylphenyl]benzoate?
The IUPAC name of methyl 4-formyl-3-[4-(methoxymethoxy)-2,6-dimethylphenyl]benzoate (CID 59342554) is methyl 4-formyl-3-[4-(methoxymethoxy)-2,6-dimethylphenyl]benzoate.
What is the SMILES notation for methyl 4-formyl-3-[4-(methoxymethoxy)-2,6-dimethylphenyl]benzoate?
The canonical SMILES for methyl 4-formyl-3-[4-(methoxymethoxy)-2,6-dimethylphenyl]benzoate is COCOc1cc(C)c(-c2cc(C(=O)OC)ccc2C=O)c(C)c1.
What is the InChIKey of methyl 4-formyl-3-[4-(methoxymethoxy)-2,6-dimethylphenyl]benzoate?
The InChIKey is UFFNAWORVLTXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O5/c1-12-7-16(24-11-22-3)8-13(2)18(12)17-9-14(19(21)23-4)5-6-15(17)10-20/h5-10H,11H2,1-4H3.
What are the key properties of methyl 4-formyl-3-[4-(methoxymethoxy)-2,6-dimethylphenyl]benzoate?
methyl 4-formyl-3-[4-(methoxymethoxy)-2,6-dimethylphenyl]benzoate has a molecular weight of 328.36 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-formyl-3-[4-(methoxymethoxy)-2,6-dimethylphenyl]benzoate is sourced from PubChem (CID 59342554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).