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

C15H20O4 — CID 59609170

IUPAC[2-methoxy-3-(4-methylphenoxy)propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(COc1ccc(C)cc1)OC
InChIInChI=1S/C15H20O4/c1-11(2)15(16)19-10-14(17-4)9-18-13-7-5-12(3)6-8-13/h5-8,14H,1,9-10H2,2-4H3
InChIKeyOZXFSYLKBXWUQU-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.51
Rot. Bonds7

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

[2-methoxy-3-(4-methylphenoxy)propyl] 2-methylprop-2-enoate (PubChem CID 59609170) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is [2-methoxy-3-(4-methylphenoxy)propyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-methoxy-3-(4-methylphenoxy)propyl] 2-methylprop-2-enoate
PubChem CID59609170
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name[2-methoxy-3-(4-methylphenoxy)propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(COc1ccc(C)cc1)OC
InChIInChI=1S/C15H20O4/c1-11(2)15(16)19-10-14(17-4)9-18-13-7-5-12(3)6-8-13/h5-8,14H,1,9-10H2,2-4H3
InChIKeyOZXFSYLKBXWUQU-UHFFFAOYSA-N
XLogP2.51
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-(4-tert-butylphenoxy)-2-hydroxypropyl] 2-methylprop-2-enoate;[2-hydroxy-3-(4-methylphenoxy)propyl] 2-methylprop-2-enoate
CID 157088737
[3-(4-methylphenoxy)-2-[[6-[[[1-(4-methylphenoxy)-3-(2-methylprop-2-enoyloxy)propan-2-yl]oxycarbonylamino]methyl]-2-bicyclo[2.2.1]heptanyl]methylcarbamoyloxy]propyl] 2-methylprop-2-enoate
CID 89212186
[2-[4-(4-methoxyphenyl)phenoxy]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
CID 155443167
[2-hydroxy-3-[4-[[4-[[4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]phenyl]-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]methyl]phenyl]-(4-methoxyphenyl)methyl]phenoxy]propyl] 2-methylprop-2-enoate
CID 155617136
[2-hydroxy-2-(4-methylphenyl)ethyl] 2-methylprop-2-enoate
CID 70388302
[3-[4-[2-[4-[2,3-bis(2-methylprop-2-enoyloxy)propoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl] 2-methylprop-2-enoate
CID 59069632
(2-methyl-3-phenoxypropyl) 2-methylprop-2-enoate
CID 59969147
[3-[4-[2-[4-[2-carboxyoxy-3-(2-methylprop-2-enoyloxy)propoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl] 2-methylprop-2-enoate
CID 70177554
[3-(3,5-dimethylphenoxy)-2-hydroxypropyl] 2-methylprop-2-enoate
CID 59609188
1,3-bis(4-ethylphenoxy)propan-2-yl 2-methylprop-2-enoate
CID 134322416
8-(4-methylphenoxy)octyl 6-(2-methylprop-2-enoyloxy)hexanoate
CID 58019571
[3-[4-(dibromomethyl)phenoxy]-2-hydroxypropyl] 2-methylprop-2-enoate
CID 70468740

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-3-(4-methylphenoxy)propyl] 2-methylprop-2-enoate?
The IUPAC name of [2-methoxy-3-(4-methylphenoxy)propyl] 2-methylprop-2-enoate (CID 59609170) is [2-methoxy-3-(4-methylphenoxy)propyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-methoxy-3-(4-methylphenoxy)propyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-methoxy-3-(4-methylphenoxy)propyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(COc1ccc(C)cc1)OC.
What is the InChIKey of [2-methoxy-3-(4-methylphenoxy)propyl] 2-methylprop-2-enoate?
The InChIKey is OZXFSYLKBXWUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-11(2)15(16)19-10-14(17-4)9-18-13-7-5-12(3)6-8-13/h5-8,14H,1,9-10H2,2-4H3.
What are the key properties of [2-methoxy-3-(4-methylphenoxy)propyl] 2-methylprop-2-enoate?
[2-methoxy-3-(4-methylphenoxy)propyl] 2-methylprop-2-enoate has a molecular weight of 264.32 g/mol, XLogP of 2.51, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-3-(4-methylphenoxy)propyl] 2-methylprop-2-enoate is sourced from PubChem (CID 59609170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).