3-(2,3-diethoxy-4-propylphenyl)propyl 2-methylprop-2-enoate

C20H30O4 — CID 151563185

IUPAC3-(2,3-diethoxy-4-propylphenyl)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCc1ccc(CCC)c(OCC)c1OCC
InChIInChI=1S/C20H30O4/c1-6-10-16-12-13-17(11-9-14-24-20(21)15(4)5)19(23-8-3)18(16)22-7-2/h12-13H,4,6-11,14H2,1-3,5H3
InChIKeyQCWZVQILFUSHFG-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.49
Rot. Bonds11

About 3-(2,3-diethoxy-4-propylphenyl)propyl 2-methylprop-2-enoate

3-(2,3-diethoxy-4-propylphenyl)propyl 2-methylprop-2-enoate (PubChem CID 151563185) has the molecular formula C20H30O4 and a molecular weight of 334.46 g/mol. Its IUPAC name is 3-(2,3-diethoxy-4-propylphenyl)propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-(2,3-diethoxy-4-propylphenyl)propyl 2-methylprop-2-enoate
PubChem CID151563185
Molecular FormulaC20H30O4
Molecular Weight334.46 g/mol
Exact Mass334.21
IUPAC Name3-(2,3-diethoxy-4-propylphenyl)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCc1ccc(CCC)c(OCC)c1OCC
InChIInChI=1S/C20H30O4/c1-6-10-16-12-13-17(11-9-14-24-20(21)15(4)5)19(23-8-3)18(16)22-7-2/h12-13H,4,6-11,14H2,1-3,5H3
InChIKeyQCWZVQILFUSHFG-UHFFFAOYSA-N
XLogP4.49
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2,3-dibutoxy-4-propylphenyl) 2-methylprop-2-enoate
CID 70638662
3-(2,3,4-trimethoxyphenyl)propyl 2-methylprop-2-enoate
CID 175430162
3-(8-hydroxyquinolin-5-yl)propyl 2-methylprop-2-enoate
CID 151753034
3-anthracen-1-ylpropyl 2-methylprop-2-enoate
CID 164705675
3-[2-(3-hydroxypropyl)-5-(4-propylphenyl)phenyl]propyl 2-methylprop-2-enoate
CID 134193029
3-[2-[ethoxy(methyl)silyl]phenyl]propyl 2-methylprop-2-enoate
CID 137327835
3-[4,6-dimethoxy-7-(2-methylprop-2-enoyloxy)dibenzothiophen-3-yl]propyl 2-methylprop-2-enoate
CID 170021269
3-(2-trimethoxysilylphenyl)propyl 2-methylprop-2-enoate
CID 174994672
2-(2-hydroxy-3-propylphenoxy)ethyl 2-methylprop-2-enoate
CID 164966256
2-[2,3,5,6-tetraethoxy-4-[2-[2,3,5,6-tetraethoxy-4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethyl 2-methylprop-2-enoate
CID 22590229
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane
CID 87383190
butyl 2-methylprop-2-enoate;λ2-stannane
CID 173448670

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-diethoxy-4-propylphenyl)propyl 2-methylprop-2-enoate?
The IUPAC name of 3-(2,3-diethoxy-4-propylphenyl)propyl 2-methylprop-2-enoate (CID 151563185) is 3-(2,3-diethoxy-4-propylphenyl)propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-(2,3-diethoxy-4-propylphenyl)propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-(2,3-diethoxy-4-propylphenyl)propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCc1ccc(CCC)c(OCC)c1OCC.
What is the InChIKey of 3-(2,3-diethoxy-4-propylphenyl)propyl 2-methylprop-2-enoate?
The InChIKey is QCWZVQILFUSHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O4/c1-6-10-16-12-13-17(11-9-14-24-20(21)15(4)5)19(23-8-3)18(16)22-7-2/h12-13H,4,6-11,14H2,1-3,5H3.
What are the key properties of 3-(2,3-diethoxy-4-propylphenyl)propyl 2-methylprop-2-enoate?
3-(2,3-diethoxy-4-propylphenyl)propyl 2-methylprop-2-enoate has a molecular weight of 334.46 g/mol, XLogP of 4.49, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-diethoxy-4-propylphenyl)propyl 2-methylprop-2-enoate is sourced from PubChem (CID 151563185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).