4-[4-(2-phenylphenoxy)butoxy]butyl 2-methylprop-2-enoate

C24H30O4 — CID 139671734

IUPAC4-[4-(2-phenylphenoxy)butoxy]butyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCOCCCCOc1ccccc1-c1ccccc1
InChIInChI=1S/C24H30O4/c1-20(2)24(25)28-19-11-9-17-26-16-8-10-18-27-23-15-7-6-14-22(23)21-12-4-3-5-13-21/h3-7,12-15H,1,8-11,16-19H2,2H3
InChIKeyVYEHXHSDJJAUHV-UHFFFAOYSA-N
MW382.50 g/mol
LogP5.43
Rot. Bonds13

About 4-[4-(2-phenylphenoxy)butoxy]butyl 2-methylprop-2-enoate

4-[4-(2-phenylphenoxy)butoxy]butyl 2-methylprop-2-enoate (PubChem CID 139671734) has the molecular formula C24H30O4 and a molecular weight of 382.50 g/mol. Its IUPAC name is 4-[4-(2-phenylphenoxy)butoxy]butyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name4-[4-(2-phenylphenoxy)butoxy]butyl 2-methylprop-2-enoate
PubChem CID139671734
Molecular FormulaC24H30O4
Molecular Weight382.50 g/mol
Exact Mass382.21
IUPAC Name4-[4-(2-phenylphenoxy)butoxy]butyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCOCCCCOc1ccccc1-c1ccccc1
InChIInChI=1S/C24H30O4/c1-20(2)24(25)28-19-11-9-17-26-16-8-10-18-27-23-15-7-6-14-22(23)21-12-4-3-5-13-21/h3-7,12-15H,1,8-11,16-19H2,2H3
InChIKeyVYEHXHSDJJAUHV-UHFFFAOYSA-N
XLogP5.43
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.50
LogP ≤ 55.43
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

6-(2-phenylphenoxy)carbonyloxyhexyl 2-methylprop-2-enoate
CID 171768489
4-[4-(4-phenoxybutoxy)butoxy]butyl 2-methylprop-2-enoate
CID 139664490
12-(2-phenylphenoxy)dodecyl 3,5-bis(2-methylprop-2-enoyloxy)benzoate
CID 140687000
5-(2-phenylphenyl)pentyl 2-methylprop-2-enoate
CID 171768668
2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-[3-(2-methylprop-2-enoyloxy)propoxy]benzoate
CID 118333772
6-(2-methoxyphenoxy)hexyl 2-methylprop-2-enoate
CID 90308739
3-(2-phenylphenoxy)butyl 2-methylprop-2-enoate
CID 140787377
3-(2-methylprop-2-enoyloxy)propyl 2-[3-(2-methylprop-2-enoyloxy)propoxy]benzoate
CID 118333815
4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]butoxy]butyl 2-methylprop-2-enoate
CID 101360150
3-[2-[2-[3-[2-methyl-3-(2-phenylphenoxy)prop-2-enoyl]oxypropoxy]phenyl]phenoxy]propyl 2-methyl-3-(2-phenylphenoxy)prop-2-enoate
CID 68950295
2-(2-methylprop-2-enoyloxy)ethyl 3-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-phenylbenzoate
CID 139527339
bis[12-(2-phenylphenoxy)dodecyl] (Z)-but-2-enedioate
CID 118941078

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-phenylphenoxy)butoxy]butyl 2-methylprop-2-enoate?
The IUPAC name of 4-[4-(2-phenylphenoxy)butoxy]butyl 2-methylprop-2-enoate (CID 139671734) is 4-[4-(2-phenylphenoxy)butoxy]butyl 2-methylprop-2-enoate.
What is the SMILES notation for 4-[4-(2-phenylphenoxy)butoxy]butyl 2-methylprop-2-enoate?
The canonical SMILES for 4-[4-(2-phenylphenoxy)butoxy]butyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCOCCCCOc1ccccc1-c1ccccc1.
What is the InChIKey of 4-[4-(2-phenylphenoxy)butoxy]butyl 2-methylprop-2-enoate?
The InChIKey is VYEHXHSDJJAUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O4/c1-20(2)24(25)28-19-11-9-17-26-16-8-10-18-27-23-15-7-6-14-22(23)21-12-4-3-5-13-21/h3-7,12-15H,1,8-11,16-19H2,2H3.
What are the key properties of 4-[4-(2-phenylphenoxy)butoxy]butyl 2-methylprop-2-enoate?
4-[4-(2-phenylphenoxy)butoxy]butyl 2-methylprop-2-enoate has a molecular weight of 382.50 g/mol, XLogP of 5.43, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-phenylphenoxy)butoxy]butyl 2-methylprop-2-enoate is sourced from PubChem (CID 139671734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).