2-(2-methylprop-2-enoyloxy)ethyl 4-(2-phenylphenyl)benzoate

C25H22O4 — CID 174745989

IUPAC2-(2-methylprop-2-enoyloxy)ethyl 4-(2-phenylphenyl)benzoate
SMILESC=C(C)C(=O)OCCOC(=O)c1ccc(-c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C25H22O4/c1-18(2)24(26)28-16-17-29-25(27)21-14-12-20(13-15-21)23-11-7-6-10-22(23)19-8-4-3-5-9-19/h3-15H,1,16-17H2,2H3
InChIKeyBEPLISRWIDOYDB-UHFFFAOYSA-N
MW386.45 g/mol
LogP5.30
Rot. Bonds7

About 2-(2-methylprop-2-enoyloxy)ethyl 4-(2-phenylphenyl)benzoate

2-(2-methylprop-2-enoyloxy)ethyl 4-(2-phenylphenyl)benzoate (PubChem CID 174745989) has the molecular formula C25H22O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoyloxy)ethyl 4-(2-phenylphenyl)benzoate.

Molecular Properties

Compound Name2-(2-methylprop-2-enoyloxy)ethyl 4-(2-phenylphenyl)benzoate
PubChem CID174745989
Molecular FormulaC25H22O4
Molecular Weight386.45 g/mol
Exact Mass386.15
IUPAC Name2-(2-methylprop-2-enoyloxy)ethyl 4-(2-phenylphenyl)benzoate
SMILESC=C(C)C(=O)OCCOC(=O)c1ccc(-c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C25H22O4/c1-18(2)24(26)28-16-17-29-25(27)21-14-12-20(13-15-21)23-11-7-6-10-22(23)19-8-4-3-5-9-19/h3-15H,1,16-17H2,2H3
InChIKeyBEPLISRWIDOYDB-UHFFFAOYSA-N
XLogP5.30
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylprop-2-enoyloxy)ethyl 3-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-phenylbenzoate
CID 139527339
2-(2-methylprop-2-enoyloxy)ethyl 4-methylbenzoate
CID 20723903
2-(3-methylbuta-1,3-dien-2-yloxy)ethyl 4-[4-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]phenyl]benzoate
CID 130395135
2-(2-methylprop-2-enoyloxy)ethyl 4-(4-hydroxyphenyl)benzoate
CID 89122297
2-hydroxyethyl 4-(2-phenylphenyl)benzoate
CID 139650323
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;toluene
CID 163489883
5-(2-phenylphenyl)pentyl 2-methylprop-2-enoate
CID 171768668
10-hydroxydecyl 4-(2-phenylphenyl)benzoate
CID 139650314
2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 4-hydroxybenzoate
CID 118331665
16-hydroxyhexadecyl 4-(2-phenylphenyl)benzoate
CID 139650319
3-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]benzoic acid
CID 22572510
4-[4-(2-phenylphenoxy)butoxy]butyl 2-methylprop-2-enoate
CID 139671734

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoyloxy)ethyl 4-(2-phenylphenyl)benzoate?
The IUPAC name of 2-(2-methylprop-2-enoyloxy)ethyl 4-(2-phenylphenyl)benzoate (CID 174745989) is 2-(2-methylprop-2-enoyloxy)ethyl 4-(2-phenylphenyl)benzoate.
What is the SMILES notation for 2-(2-methylprop-2-enoyloxy)ethyl 4-(2-phenylphenyl)benzoate?
The canonical SMILES for 2-(2-methylprop-2-enoyloxy)ethyl 4-(2-phenylphenyl)benzoate is C=C(C)C(=O)OCCOC(=O)c1ccc(-c2ccccc2-c2ccccc2)cc1.
What is the InChIKey of 2-(2-methylprop-2-enoyloxy)ethyl 4-(2-phenylphenyl)benzoate?
The InChIKey is BEPLISRWIDOYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22O4/c1-18(2)24(26)28-16-17-29-25(27)21-14-12-20(13-15-21)23-11-7-6-10-22(23)19-8-4-3-5-9-19/h3-15H,1,16-17H2,2H3.
What are the key properties of 2-(2-methylprop-2-enoyloxy)ethyl 4-(2-phenylphenyl)benzoate?
2-(2-methylprop-2-enoyloxy)ethyl 4-(2-phenylphenyl)benzoate has a molecular weight of 386.45 g/mol, XLogP of 5.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoyloxy)ethyl 4-(2-phenylphenyl)benzoate is sourced from PubChem (CID 174745989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).