methyl 3,4,5-tripropoxybenzoate

C17H26O5 — CID 19820325

IUPACmethyl 3,4,5-tripropoxybenzoate
SMILESCCCOc1cc(C(=O)OC)cc(OCCC)c1OCCC
InChIInChI=1S/C17H26O5/c1-5-8-20-14-11-13(17(18)19-4)12-15(21-9-6-2)16(14)22-10-7-3/h11-12H,5-10H2,1-4H3
InChIKeyDGYIXRWERPGIGI-UHFFFAOYSA-N
MW310.39 g/mol
LogP3.84
Rot. Bonds10

About methyl 3,4,5-tripropoxybenzoate

methyl 3,4,5-tripropoxybenzoate (PubChem CID 19820325) has the molecular formula C17H26O5 and a molecular weight of 310.39 g/mol. Its IUPAC name is methyl 3,4,5-tripropoxybenzoate.

Molecular Properties

Compound Namemethyl 3,4,5-tripropoxybenzoate
PubChem CID19820325
Molecular FormulaC17H26O5
Molecular Weight310.39 g/mol
Exact Mass310.18
IUPAC Namemethyl 3,4,5-tripropoxybenzoate
SMILESCCCOc1cc(C(=O)OC)cc(OCCC)c1OCCC
InChIInChI=1S/C17H26O5/c1-5-8-20-14-11-13(17(18)19-4)12-15(21-9-6-2)16(14)22-10-7-3/h11-12H,5-10H2,1-4H3
InChIKeyDGYIXRWERPGIGI-UHFFFAOYSA-N
XLogP3.84
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2,3-bis(3-azaniumylpropoxy)-5-methoxycarbonylphenoxy]propylazanium
CID 102410826
methyl 4-(2-hydroxyethoxy)-3,5-dimethoxybenzoate
CID 122501384
1-[3,5-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]ethanone
CID 143391101
methyl 3-amino-4-propoxybenzoate
CID 43380309
methyl 3,5-bis[[3,4,5-tris[2-(2-methoxyethoxy)ethoxy]phenyl]methoxy]-4-[[3,4,5-tris[[3,4,5-tris[2-(2-methoxyethoxy)ethoxy]phenyl]methoxy]phenyl]methoxy]benzoate
CID 102291539
methyl 4-butoxy-3,5-difluorobenzoate
CID 118685930
methyl 3-acetyl-4-propoxybenzoate
CID 18404776
methyl 3,4,5-tris(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononoxy)benzoate
CID 101495125
methyl 5-bromo-2,4-dipropoxybenzoate
CID 82550686
methyl 3-ethoxy-5-hydroxy-4-methoxybenzoate
CID 177233535
5-(chloromethyl)-1,2,3-trihexoxybenzene;methane;methyl 3,5-dihexoxy-4-hexylbenzoate;hydrate
CID 161315231
methyl 3,4,5-tributoxy-2-(2,3,4-tributoxy-6-methoxycarbonylphenyl)benzoate
CID 89142847

Frequently Asked Questions

What is the IUPAC name of methyl 3,4,5-tripropoxybenzoate?
The IUPAC name of methyl 3,4,5-tripropoxybenzoate (CID 19820325) is methyl 3,4,5-tripropoxybenzoate.
What is the SMILES notation for methyl 3,4,5-tripropoxybenzoate?
The canonical SMILES for methyl 3,4,5-tripropoxybenzoate is CCCOc1cc(C(=O)OC)cc(OCCC)c1OCCC.
What is the InChIKey of methyl 3,4,5-tripropoxybenzoate?
The InChIKey is DGYIXRWERPGIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O5/c1-5-8-20-14-11-13(17(18)19-4)12-15(21-9-6-2)16(14)22-10-7-3/h11-12H,5-10H2,1-4H3.
What are the key properties of methyl 3,4,5-tripropoxybenzoate?
methyl 3,4,5-tripropoxybenzoate has a molecular weight of 310.39 g/mol, XLogP of 3.84, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,4,5-tripropoxybenzoate is sourced from PubChem (CID 19820325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).