3-[4-(4-methoxy-3-methylphenoxy)phenoxy]propyl 2-methylprop-2-enoate

C21H24O5 — CID 154932481

IUPAC3-[4-(4-methoxy-3-methylphenoxy)phenoxy]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCOc1ccc(Oc2ccc(OC)c(C)c2)cc1
InChIInChI=1S/C21H24O5/c1-15(2)21(22)25-13-5-12-24-17-6-8-18(9-7-17)26-19-10-11-20(23-4)16(3)14-19/h6-11,14H,1,5,12-13H2,2-4H3
InChIKeyXWTLSIVOPXDCLH-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.68
Rot. Bonds9

About 3-[4-(4-methoxy-3-methylphenoxy)phenoxy]propyl 2-methylprop-2-enoate

3-[4-(4-methoxy-3-methylphenoxy)phenoxy]propyl 2-methylprop-2-enoate (PubChem CID 154932481) has the molecular formula C21H24O5 and a molecular weight of 356.42 g/mol. Its IUPAC name is 3-[4-(4-methoxy-3-methylphenoxy)phenoxy]propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-[4-(4-methoxy-3-methylphenoxy)phenoxy]propyl 2-methylprop-2-enoate
PubChem CID154932481
Molecular FormulaC21H24O5
Molecular Weight356.42 g/mol
Exact Mass356.16
IUPAC Name3-[4-(4-methoxy-3-methylphenoxy)phenoxy]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCOc1ccc(Oc2ccc(OC)c(C)c2)cc1
InChIInChI=1S/C21H24O5/c1-15(2)21(22)25-13-5-12-24-17-6-8-18(9-7-17)26-19-10-11-20(23-4)16(3)14-19/h6-11,14H,1,5,12-13H2,2-4H3
InChIKeyXWTLSIVOPXDCLH-UHFFFAOYSA-N
XLogP4.68
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

3-[4-[4-[3-(2-methylprop-2-enoyloxy)propoxy]phenyl]sulfanylphenoxy]propyl 2-methylprop-2-enoate
CID 59739169
5-[4-[4-[5-(2-methylprop-2-enoyloxy)pentoxy]phenyl]phenoxy]pentyl 2-methylprop-2-enoate
CID 118286214
[4-[4-[4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoyl]oxyphenoxy]phenyl] 4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoate
CID 142733207
[4-[10-(2-methylprop-2-enoyloxy)decoxy]phenyl] 3-bromo-4-methoxybenzoate
CID 102272410
4-[4-[2-[4-[4-(2-methylprop-2-enoyloxy)butoxy]phenyl]ethynyl]phenoxy]butyl 2-methylprop-2-enoate
CID 58987347
3-[2-methyl-4-[3-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenoxy]propyl 2-methylprop-2-enoate
CID 170186197
methyl 4-[4-(2-methylprop-2-enoyloxy)butoxy]benzoate
CID 58785408
[3-methyl-4-[(E)-3-[4-[3-(2-methylprop-2-enoyloxy)propoxy]phenyl]prop-2-enoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxy)benzoate
CID 129281761
3-[4-[2-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]propan-2-yl]phenoxy]propyl 2-methylprop-2-enoate
CID 23544685
3-(4-amino-3-hydroxyphenoxy)propyl 2-methylprop-2-enoate
CID 143071517
3-[2-(4-methoxy-3-methylphenyl)-2-oxoethoxy]sulfonylpropyl 2-methylprop-2-enoate
CID 170058324
6-(2-methoxyphenoxy)hexyl 2-methylprop-2-enoate
CID 90308739

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methoxy-3-methylphenoxy)phenoxy]propyl 2-methylprop-2-enoate?
The IUPAC name of 3-[4-(4-methoxy-3-methylphenoxy)phenoxy]propyl 2-methylprop-2-enoate (CID 154932481) is 3-[4-(4-methoxy-3-methylphenoxy)phenoxy]propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-[4-(4-methoxy-3-methylphenoxy)phenoxy]propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-[4-(4-methoxy-3-methylphenoxy)phenoxy]propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCOc1ccc(Oc2ccc(OC)c(C)c2)cc1.
What is the InChIKey of 3-[4-(4-methoxy-3-methylphenoxy)phenoxy]propyl 2-methylprop-2-enoate?
The InChIKey is XWTLSIVOPXDCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O5/c1-15(2)21(22)25-13-5-12-24-17-6-8-18(9-7-17)26-19-10-11-20(23-4)16(3)14-19/h6-11,14H,1,5,12-13H2,2-4H3.
What are the key properties of 3-[4-(4-methoxy-3-methylphenoxy)phenoxy]propyl 2-methylprop-2-enoate?
3-[4-(4-methoxy-3-methylphenoxy)phenoxy]propyl 2-methylprop-2-enoate has a molecular weight of 356.42 g/mol, XLogP of 4.68, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methoxy-3-methylphenoxy)phenoxy]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 154932481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).