2-(2-methylprop-2-enoyloxy)ethyl 3-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-phenylbenzoate

C25H26O7 — CID 139527339

IUPAC2-(2-methylprop-2-enoyloxy)ethyl 3-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-phenylbenzoate
SMILESC=C(C)C(=O)OCCOC(=O)c1ccc(-c2ccccc2)c(OCCOC(=O)C(=C)C)c1
InChIInChI=1S/C25H26O7/c1-17(2)23(26)30-13-12-29-22-16-20(10-11-21(22)19-8-6-5-7-9-19)25(28)32-15-14-31-24(27)18(3)4/h5-11,16H,1,3,12-15H2,2,4H3
InChIKeyXYAHBHYJKCVCKT-UHFFFAOYSA-N
MW438.48 g/mol
LogP4.13
Rot. Bonds11

About 2-(2-methylprop-2-enoyloxy)ethyl 3-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-phenylbenzoate

2-(2-methylprop-2-enoyloxy)ethyl 3-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-phenylbenzoate (PubChem CID 139527339) has the molecular formula C25H26O7 and a molecular weight of 438.48 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoyloxy)ethyl 3-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-phenylbenzoate.

Molecular Properties

Compound Name2-(2-methylprop-2-enoyloxy)ethyl 3-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-phenylbenzoate
PubChem CID139527339
Molecular FormulaC25H26O7
Molecular Weight438.48 g/mol
Exact Mass438.17
IUPAC Name2-(2-methylprop-2-enoyloxy)ethyl 3-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-phenylbenzoate
SMILESC=C(C)C(=O)OCCOC(=O)c1ccc(-c2ccccc2)c(OCCOC(=O)C(=C)C)c1
InChIInChI=1S/C25H26O7/c1-17(2)23(26)30-13-12-29-22-16-20(10-11-21(22)19-8-6-5-7-9-19)25(28)32-15-14-31-24(27)18(3)4/h5-11,16H,1,3,12-15H2,2,4H3
InChIKeyXYAHBHYJKCVCKT-UHFFFAOYSA-N
XLogP4.13
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(2-methylprop-2-enoyloxy)ethyl 3-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-phenylbenzoate 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

2-(2-methylprop-2-enoyloxy)ethyl 4-(2-phenylphenyl)benzoate
CID 174745989
2-(2,2-dimethylpropanoyloxy)ethyl 3-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]benzoate
CID 174246226
2-[4-[2-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-phenylphenyl]propan-2-yl]-2-phenylphenoxy]ethyl 2-methylprop-2-enoate
CID 18755717
2-[5-(2-hydroxyethoxy)-2-(2-methyl-4-phenylphenyl)phenoxy]ethyl 2-methylprop-2-enoate
CID 134200743
4-[4-(2-phenylphenoxy)butoxy]butyl 2-methylprop-2-enoate
CID 139671734
3-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]benzoic acid
CID 22572510
2-[2-[4-(hydroxymethyl)phenyl]-5-methylphenoxy]ethyl 2-methylprop-2-enoate
CID 134200446
12-(2-phenylphenoxy)dodecyl 3,5-bis(2-methylprop-2-enoyloxy)benzoate
CID 140687000
2-[4-(3-fluoro-4-phenylphenyl)phenoxy]ethyl 2-methylprop-2-enoate
CID 67641327
2-[4-[2-(2-methylprop-2-enoyloxy)-4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenyl]but-2-en-2-yl]phenyl]phenoxy]ethyl 2-methylprop-2-enoate
CID 118975507
2-[2-(2-hydroxyethyl)-5-(2-methyl-4-phenylphenyl)phenoxy]ethyl 2-methylprop-2-enoate
CID 134200563
2-[4-[4-[2-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-3-[2-(2-methylprop-2-enoyloxy)ethoxy]phenoxy]ethyl 2-methylprop-2-enoate
CID 163298238

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoyloxy)ethyl 3-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-phenylbenzoate?
The IUPAC name of 2-(2-methylprop-2-enoyloxy)ethyl 3-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-phenylbenzoate (CID 139527339) is 2-(2-methylprop-2-enoyloxy)ethyl 3-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-phenylbenzoate.
What is the SMILES notation for 2-(2-methylprop-2-enoyloxy)ethyl 3-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-phenylbenzoate?
The canonical SMILES for 2-(2-methylprop-2-enoyloxy)ethyl 3-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-phenylbenzoate is C=C(C)C(=O)OCCOC(=O)c1ccc(-c2ccccc2)c(OCCOC(=O)C(=C)C)c1.
What is the InChIKey of 2-(2-methylprop-2-enoyloxy)ethyl 3-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-phenylbenzoate?
The InChIKey is XYAHBHYJKCVCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O7/c1-17(2)23(26)30-13-12-29-22-16-20(10-11-21(22)19-8-6-5-7-9-19)25(28)32-15-14-31-24(27)18(3)4/h5-11,16H,1,3,12-15H2,2,4H3.
What are the key properties of 2-(2-methylprop-2-enoyloxy)ethyl 3-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-phenylbenzoate?
2-(2-methylprop-2-enoyloxy)ethyl 3-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-phenylbenzoate has a molecular weight of 438.48 g/mol, XLogP of 4.13, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoyloxy)ethyl 3-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-phenylbenzoate is sourced from PubChem (CID 139527339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).