[4-[[4-[bis[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl]-[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl] 2-methylprop-2-enoate

C48H42O8 — CID 169009058

IUPAC[4-[[4-[bis[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl]-[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(C(c2ccc(OC(=O)C(=C)C)cc2)c2ccc(C(c3ccc(OC(=O)C(=C)C)cc3)c3ccc(OC(=O)C(=C)C)cc3)cc2)cc1
InChIInChI=1S/C48H42O8/c1-29(2)45(49)53-39-21-13-35(14-22-39)43(36-15-23-40(24-16-36)54-46(50)30(3)4)33-9-11-34(12-10-33)44(37-17-25-41(26-18-37)55-47(51)31(5)6)38-19-27-42(28-20-38)56-48(52)32(7)8/h9-28,43-44H,1,3,5,7H2,2,4,6,8H3
InChIKeySYDPGDDIQBRGTH-UHFFFAOYSA-N
MW746.86 g/mol
LogP9.97
Rot. Bonds14

About [4-[[4-[bis[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl]-[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl] 2-methylprop-2-enoate

[4-[[4-[bis[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl]-[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl] 2-methylprop-2-enoate (PubChem CID 169009058) has the molecular formula C48H42O8 and a molecular weight of 746.86 g/mol. Its IUPAC name is [4-[[4-[bis[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl]-[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-[[4-[bis[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl]-[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl] 2-methylprop-2-enoate
PubChem CID169009058
Molecular FormulaC48H42O8
Molecular Weight746.86 g/mol
Exact Mass746.29
IUPAC Name[4-[[4-[bis[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl]-[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(C(c2ccc(OC(=O)C(=C)C)cc2)c2ccc(C(c3ccc(OC(=O)C(=C)C)cc3)c3ccc(OC(=O)C(=C)C)cc3)cc2)cc1
InChIInChI=1S/C48H42O8/c1-29(2)45(49)53-39-21-13-35(14-22-39)43(36-15-23-40(24-16-36)54-46(50)30(3)4)33-9-11-34(12-10-33)44(37-17-25-41(26-18-37)55-47(51)31(5)6)38-19-27-42(28-20-38)56-48(52)32(7)8/h9-28,43-44H,1,3,5,7H2,2,4,6,8H3
InChIKeySYDPGDDIQBRGTH-UHFFFAOYSA-N
XLogP9.97
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.86
LogP ≤ 59.97
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': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze [4-[[4-[bis[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl]-[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl] 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-pentan-2-ylphenyl) 2-methylprop-2-enoate
CID 89171123
[4-[4-(2-methylprop-2-enoyloxy)benzoyl]phenyl] 2-methylprop-2-enoate
CID 86688842
[4-bis[4-(2-methylprop-2-enoyloxy)phenyl]stibanylphenyl] 2-methylprop-2-enoate
CID 172846034
2-[[4-[[4-[bis[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]methyl]phenyl]-[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]methyl]phenoxy]carbonylamino]ethyl 2-methylprop-2-enoate
CID 90224731
(4-ethoxyphenyl) 2-methylprop-2-enoate
CID 54374861
(4-carbamoylphenyl) 2-methylprop-2-enoate
CID 53440858
[4-(hydroxymethyl)phenyl] 2-methylprop-2-enoate
CID 18459584
2-methylprop-2-enoic acid;phenyl 2-methylprop-2-enoate
CID 69302463
[4-(1-methoxy-2-oxo-2-phenylethyl)phenyl] 2-methylprop-2-enoate
CID 100944604
[4-[bis[2-methyl-4-(2-methylprop-2-enoyloxy)phenyl]methyl]-3-methylphenyl] 2-methylprop-2-enoate
CID 147925089
[4-[3-[4-(2-methylprop-2-enoyloxy)phenoxy]phenoxy]phenyl] 2-methylprop-2-enoate
CID 59739254
[4-(4-methoxybenzoyl)phenyl] 2-methylprop-2-enoate
CID 67394366

Frequently Asked Questions

What is the IUPAC name of [4-[[4-[bis[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl]-[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl] 2-methylprop-2-enoate?
The IUPAC name of [4-[[4-[bis[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl]-[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl] 2-methylprop-2-enoate (CID 169009058) is [4-[[4-[bis[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl]-[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-[[4-[bis[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl]-[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-[[4-[bis[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl]-[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(C(c2ccc(OC(=O)C(=C)C)cc2)c2ccc(C(c3ccc(OC(=O)C(=C)C)cc3)c3ccc(OC(=O)C(=C)C)cc3)cc2)cc1.
What is the InChIKey of [4-[[4-[bis[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl]-[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl] 2-methylprop-2-enoate?
The InChIKey is SYDPGDDIQBRGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H42O8/c1-29(2)45(49)53-39-21-13-35(14-22-39)43(36-15-23-40(24-16-36)54-46(50)30(3)4)33-9-11-34(12-10-33)44(37-17-25-41(26-18-37)55-47(51)31(5)6)38-19-27-42(28-20-38)56-48(52)32(7)8/h9-28,43-44H,1,3,5,7H2,2,4,6,8H3.
What are the key properties of [4-[[4-[bis[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl]-[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl] 2-methylprop-2-enoate?
[4-[[4-[bis[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl]-[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl] 2-methylprop-2-enoate has a molecular weight of 746.86 g/mol, XLogP of 9.97, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-[bis[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl]-[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 169009058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).