[2-[4-(4-methoxyphenyl)phenoxy]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate

C24H26O6 — CID 155443167

IUPAC[2-[4-(4-methoxyphenyl)phenoxy]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(COC(=O)C(=C)C)Oc1ccc(-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H26O6/c1-16(2)23(25)28-14-22(15-29-24(26)17(3)4)30-21-12-8-19(9-13-21)18-6-10-20(27-5)11-7-18/h6-13,22H,1,3,14-15H2,2,4-5H3
InChIKeyGCKABBQNYHVYIZ-UHFFFAOYSA-N
MW410.47 g/mol
LogP4.35
Rot. Bonds10

About [2-[4-(4-methoxyphenyl)phenoxy]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate

[2-[4-(4-methoxyphenyl)phenoxy]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate (PubChem CID 155443167) has the molecular formula C24H26O6 and a molecular weight of 410.47 g/mol. Its IUPAC name is [2-[4-(4-methoxyphenyl)phenoxy]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-[4-(4-methoxyphenyl)phenoxy]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
PubChem CID155443167
Molecular FormulaC24H26O6
Molecular Weight410.47 g/mol
Exact Mass410.17
IUPAC Name[2-[4-(4-methoxyphenyl)phenoxy]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(COC(=O)C(=C)C)Oc1ccc(-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H26O6/c1-16(2)23(25)28-14-22(15-29-24(26)17(3)4)30-21-12-8-19(9-13-21)18-6-10-20(27-5)11-7-18/h6-13,22H,1,3,14-15H2,2,4-5H3
InChIKeyGCKABBQNYHVYIZ-UHFFFAOYSA-N
XLogP4.35
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-[4-[4-(2-methylprop-2-enimidoyloxy)phenyl]phenoxy]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
CID 166955980
[2-[4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]-3-(2-methylprop-2-enoxy)propyl] 2-methylprop-2-enoate
CID 167020426
[2-methoxy-3-(4-methylphenoxy)propyl] 2-methylprop-2-enoate
CID 59609170
[3-[4-(4-methoxyphenyl)phenoxy]-3-oxopropyl] 2-methylprop-2-enoate
CID 126585525
2-[4-[1,1-bis[4-[1-(2-methylprop-2-enoyloxy)propan-2-yloxy]phenyl]ethyl]phenoxy]propyl 2-methylprop-2-enoate
CID 101166414
3-[4-(4-butan-2-yloxyphenyl)phenoxy]propyl 2-methylprop-2-enoate
CID 20566717
5-[4-[4-[5-(2-methylprop-2-enoyloxy)pentoxy]phenyl]phenoxy]pentyl 2-methylprop-2-enoate
CID 118286214
[8-[4-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxyphenyl]phenoxy]-2-(2-methylprop-2-enoyloxymethyl)octyl] 2-methylprop-2-enoate
CID 101395178
2-[2-(4-methoxyphenyl)acetyl]oxyethyl 2-methylprop-2-enoate
CID 118031006
[3-acetyloxy-2-(4-bromophenoxy)propyl] acetate
CID 125479775
6-[4-[4-(3-hydroxypropoxy)phenyl]phenoxy]dodecyl 2-methylprop-2-enoate
CID 162519372
2-[2-(4-methoxyphenoxy)propoxyamino]prop-2-enoic acid
CID 57093505

Frequently Asked Questions

What is the IUPAC name of [2-[4-(4-methoxyphenyl)phenoxy]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate?
The IUPAC name of [2-[4-(4-methoxyphenyl)phenoxy]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate (CID 155443167) is [2-[4-(4-methoxyphenyl)phenoxy]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-[4-(4-methoxyphenyl)phenoxy]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-[4-(4-methoxyphenyl)phenoxy]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(COC(=O)C(=C)C)Oc1ccc(-c2ccc(OC)cc2)cc1.
What is the InChIKey of [2-[4-(4-methoxyphenyl)phenoxy]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate?
The InChIKey is GCKABBQNYHVYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O6/c1-16(2)23(25)28-14-22(15-29-24(26)17(3)4)30-21-12-8-19(9-13-21)18-6-10-20(27-5)11-7-18/h6-13,22H,1,3,14-15H2,2,4-5H3.
What are the key properties of [2-[4-(4-methoxyphenyl)phenoxy]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate?
[2-[4-(4-methoxyphenyl)phenoxy]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate has a molecular weight of 410.47 g/mol, XLogP of 4.35, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(4-methoxyphenyl)phenoxy]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate is sourced from PubChem (CID 155443167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).