[2-[[2-(2-methylprop-2-enoyloxy)phenoxy]-propoxyphosphoryl]oxyphenyl] 2-methylprop-2-enoate

C23H25O8P — CID 161072702

IUPAC[2-[[2-(2-methylprop-2-enoyloxy)phenoxy]-propoxyphosphoryl]oxyphenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccccc1OP(=O)(OCCC)Oc1ccccc1OC(=O)C(=C)C
InChIInChI=1S/C23H25O8P/c1-6-15-27-32(26,30-20-13-9-7-11-18(20)28-22(24)16(2)3)31-21-14-10-8-12-19(21)29-23(25)17(4)5/h7-14H,2,4,6,15H2,1,3,5H3
InChIKeyUEWDVMDCAVVYAW-UHFFFAOYSA-N
MW460.42 g/mol
LogP5.64
Rot. Bonds11

About [2-[[2-(2-methylprop-2-enoyloxy)phenoxy]-propoxyphosphoryl]oxyphenyl] 2-methylprop-2-enoate

[2-[[2-(2-methylprop-2-enoyloxy)phenoxy]-propoxyphosphoryl]oxyphenyl] 2-methylprop-2-enoate (PubChem CID 161072702) has the molecular formula C23H25O8P and a molecular weight of 460.42 g/mol. Its IUPAC name is [2-[[2-(2-methylprop-2-enoyloxy)phenoxy]-propoxyphosphoryl]oxyphenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-[[2-(2-methylprop-2-enoyloxy)phenoxy]-propoxyphosphoryl]oxyphenyl] 2-methylprop-2-enoate
PubChem CID161072702
Molecular FormulaC23H25O8P
Molecular Weight460.42 g/mol
Exact Mass460.13
IUPAC Name[2-[[2-(2-methylprop-2-enoyloxy)phenoxy]-propoxyphosphoryl]oxyphenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccccc1OP(=O)(OCCC)Oc1ccccc1OC(=O)C(=C)C
InChIInChI=1S/C23H25O8P/c1-6-15-27-32(26,30-20-13-9-7-11-18(20)28-22(24)16(2)3)31-21-14-10-8-12-19(21)29-23(25)17(4)5/h7-14H,2,4,6,15H2,1,3,5H3
InChIKeyUEWDVMDCAVVYAW-UHFFFAOYSA-N
XLogP5.64
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.42
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-3-(3,4-diacetoxyphenyl)prop-2-enoyl]oxyethyl (E)-3-(3,4-diacetoxyphenyl)prop-2-enoate
CID 5469976
Potassium;2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene;acetate
CID 23672179
Guaiacol cinnamate
CID 695688
benzeneselenonic acid, 3-(acetyloxy)-4-methoxy-, calcium salt
CID 24834699
(2R)-2-[(2-ethoxyphenoxy)methyl]-2,3-dihydropyran-6-one
CID 162674268
3-(3,4-Dimethoxyphenyl)prop-2-enyl 3-(3,4-diacetyloxyphenyl)prop-2-enoate
CID 91404053
[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl] (E)-3-(3,4-diacetyloxyphenyl)prop-2-enoate
CID 101432621
1,5-((3,3'-Dimethylphosphate)diphenoxy)-3-oxapentane
CID 126337
(2-methoxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 5928358
Fumaric acid, 2-methoxyphenyl 2-fluorophenyl ester
CID 91712372
6,7,11,12,19,20,24,25-Octahydrodibenzo[g,r][1,3,6,9,12,14,17,20,2,13]octaoxadiphosphacyclodocosine-9,22-diol 9,22-dioxide
CID 4176877
Guaiacyl tiglate
CID 57783255

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(2-methylprop-2-enoyloxy)phenoxy]-propoxyphosphoryl]oxyphenyl] 2-methylprop-2-enoate?
The IUPAC name of [2-[[2-(2-methylprop-2-enoyloxy)phenoxy]-propoxyphosphoryl]oxyphenyl] 2-methylprop-2-enoate (CID 161072702) is [2-[[2-(2-methylprop-2-enoyloxy)phenoxy]-propoxyphosphoryl]oxyphenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-[[2-(2-methylprop-2-enoyloxy)phenoxy]-propoxyphosphoryl]oxyphenyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-[[2-(2-methylprop-2-enoyloxy)phenoxy]-propoxyphosphoryl]oxyphenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccccc1OP(=O)(OCCC)Oc1ccccc1OC(=O)C(=C)C.
What is the InChIKey of [2-[[2-(2-methylprop-2-enoyloxy)phenoxy]-propoxyphosphoryl]oxyphenyl] 2-methylprop-2-enoate?
The InChIKey is UEWDVMDCAVVYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25O8P/c1-6-15-27-32(26,30-20-13-9-7-11-18(20)28-22(24)16(2)3)31-21-14-10-8-12-19(21)29-23(25)17(4)5/h7-14H,2,4,6,15H2,1,3,5H3.
What are the key properties of [2-[[2-(2-methylprop-2-enoyloxy)phenoxy]-propoxyphosphoryl]oxyphenyl] 2-methylprop-2-enoate?
[2-[[2-(2-methylprop-2-enoyloxy)phenoxy]-propoxyphosphoryl]oxyphenyl] 2-methylprop-2-enoate has a molecular weight of 460.42 g/mol, XLogP of 5.64, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(2-methylprop-2-enoyloxy)phenoxy]-propoxyphosphoryl]oxyphenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 161072702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).