[2-[1,2,2-tris[2-(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate

C42H36O8 — CID 162511991

IUPAC[2-[1,2,2-tris[2-(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccccc1C(=C(c1ccccc1OC(=O)C(=C)C)c1ccccc1OC(=O)C(=C)C)c1ccccc1OC(=O)C(=C)C
InChIInChI=1S/C42H36O8/c1-25(2)39(43)47-33-21-13-9-17-29(33)37(30-18-10-14-22-34(30)48-40(44)26(3)4)38(31-19-11-15-23-35(31)49-41(45)27(5)6)32-20-12-16-24-36(32)50-42(46)28(7)8/h9-24H,1,3,5,7H2,2,4,6,8H3
InChIKeyHNQLCIFPRYCVNT-UHFFFAOYSA-N
MW668.74 g/mol
LogP8.62
Rot. Bonds12

About [2-[1,2,2-tris[2-(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate

[2-[1,2,2-tris[2-(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate (PubChem CID 162511991) has the molecular formula C42H36O8 and a molecular weight of 668.74 g/mol. Its IUPAC name is [2-[1,2,2-tris[2-(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-[1,2,2-tris[2-(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate
PubChem CID162511991
Molecular FormulaC42H36O8
Molecular Weight668.74 g/mol
Exact Mass668.24
IUPAC Name[2-[1,2,2-tris[2-(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccccc1C(=C(c1ccccc1OC(=O)C(=C)C)c1ccccc1OC(=O)C(=C)C)c1ccccc1OC(=O)C(=C)C
InChIInChI=1S/C42H36O8/c1-25(2)39(43)47-33-21-13-9-17-29(33)37(30-18-10-14-22-34(30)48-40(44)26(3)4)38(31-19-11-15-23-35(31)49-41(45)27(5)6)32-20-12-16-24-36(32)50-42(46)28(7)8/h9-24H,1,3,5,7H2,2,4,6,8H3
InChIKeyHNQLCIFPRYCVNT-UHFFFAOYSA-N
XLogP8.62
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.74
LogP ≤ 58.62
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': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(2-acetylphenyl) 2-methylprop-2-enoate
CID 19877902
(2-carbonochloridoylphenyl) 2-methylprop-2-enoate
CID 100943837
[2-(2-aminobenzoyl)phenyl] 2-methylprop-2-enoate
CID 139968489
(2-ethenylphenyl) 2-methylprop-2-enoate
CID 19607397
2-amino-3-(2-methylprop-2-enoyloxy)benzoic acid
CID 23083813
benzyl 2-(2-methylprop-2-enoyloxy)benzoate;ethane
CID 153361081
1-(2-prop-1-en-2-yloxyphenyl)ethanone
CID 118199787
pentyl 2-(2-methylprop-2-enoyloxy)benzoate
CID 89120577
[2-[1,1,1,3,3,3-hexafluoro-2-[2-(2-methylprop-2-enoyloxy)phenyl]propan-2-yl]phenyl] 2-methylprop-2-enoate
CID 22141672
2-(2-methylprop-2-enoyloxy)benzoic acid;3-(2-methylprop-2-enoyloxy)benzoic acid
CID 118071852
ethane;naphthalen-1-yl 2-methylprop-2-enoate
CID 91365419
[4-(2-methoxybenzoyl)phenyl] 2-methylprop-2-enoate
CID 139968498

Frequently Asked Questions

What is the IUPAC name of [2-[1,2,2-tris[2-(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate?
The IUPAC name of [2-[1,2,2-tris[2-(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate (CID 162511991) is [2-[1,2,2-tris[2-(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-[1,2,2-tris[2-(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-[1,2,2-tris[2-(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccccc1C(=C(c1ccccc1OC(=O)C(=C)C)c1ccccc1OC(=O)C(=C)C)c1ccccc1OC(=O)C(=C)C.
What is the InChIKey of [2-[1,2,2-tris[2-(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate?
The InChIKey is HNQLCIFPRYCVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H36O8/c1-25(2)39(43)47-33-21-13-9-17-29(33)37(30-18-10-14-22-34(30)48-40(44)26(3)4)38(31-19-11-15-23-35(31)49-41(45)27(5)6)32-20-12-16-24-36(32)50-42(46)28(7)8/h9-24H,1,3,5,7H2,2,4,6,8H3.
What are the key properties of [2-[1,2,2-tris[2-(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate?
[2-[1,2,2-tris[2-(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate has a molecular weight of 668.74 g/mol, XLogP of 8.62, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1,2,2-tris[2-(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 162511991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).