[4-[4-(2-methylbut-2-enoxymethoxy)phenyl]phenyl] 2-methylprop-2-enoate

C22H24O4 — CID 123733375

IUPAC[4-[4-(2-methylbut-2-enoxymethoxy)phenyl]phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(-c2ccc(OCOCC(C)=CC)cc2)cc1
InChIInChI=1S/C22H24O4/c1-5-17(4)14-24-15-25-20-10-6-18(7-11-20)19-8-12-21(13-9-19)26-22(23)16(2)3/h5-13H,2,14-15H2,1,3-4H3
InChIKeyCGMUVKLNFKBBOG-UHFFFAOYSA-N
MW352.43 g/mol
LogP5.15
Rot. Bonds8

About [4-[4-(2-methylbut-2-enoxymethoxy)phenyl]phenyl] 2-methylprop-2-enoate

[4-[4-(2-methylbut-2-enoxymethoxy)phenyl]phenyl] 2-methylprop-2-enoate (PubChem CID 123733375) has the molecular formula C22H24O4 and a molecular weight of 352.43 g/mol. Its IUPAC name is [4-[4-(2-methylbut-2-enoxymethoxy)phenyl]phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-[4-(2-methylbut-2-enoxymethoxy)phenyl]phenyl] 2-methylprop-2-enoate
PubChem CID123733375
Molecular FormulaC22H24O4
Molecular Weight352.43 g/mol
Exact Mass352.17
IUPAC Name[4-[4-(2-methylbut-2-enoxymethoxy)phenyl]phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(-c2ccc(OCOCC(C)=CC)cc2)cc1
InChIInChI=1S/C22H24O4/c1-5-17(4)14-24-15-25-20-10-6-18(7-11-20)19-8-12-21(13-9-19)26-22(23)16(2)3/h5-13H,2,14-15H2,1,3-4H3
InChIKeyCGMUVKLNFKBBOG-UHFFFAOYSA-N
XLogP5.15
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.43
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]methyl]phenyl] 2-methylprop-2-enoate
CID 155241279
[4-(4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate
CID 89212422
[4-[4-(4-prop-2-enoyloxyphenyl)phenyl]phenyl] 2-methylprop-2-enoate
CID 118680413
(4-ethoxyphenyl) 2-methylprop-2-enoate
CID 54374861
[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-(methoxymethyl)prop-2-enoate
CID 146704143
[4-(4-ethenylphenyl)phenyl] 2-methylprop-2-enoate
CID 90249392
[4-(4-formyloxyphenyl)phenyl] 2-methylprop-2-enoate;2-methylprop-1-ene
CID 144966682
[4-[4-[[4-(4-prop-2-enoyloxyphenyl)phenoxy]methyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 155219776
[4-[4-[[4-(4-prop-2-enoyloxyphenyl)phenyl]methoxy]phenyl]phenyl] 2-methylprop-2-enoate
CID 155628388
[4-[4-(2-methylprop-1-enoxy)phenyl]phenyl] 2-methylprop-2-enoate
CID 118907469
[2,5-bis[4-(2-methylprop-2-enoyloxy)phenyl]phenyl] (E)-2-methylbut-2-enoate
CID 118907377
[4-[4-[2-[4-(4-prop-2-enoyloxyphenyl)phenyl]ethyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 155219900

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2-methylbut-2-enoxymethoxy)phenyl]phenyl] 2-methylprop-2-enoate?
The IUPAC name of [4-[4-(2-methylbut-2-enoxymethoxy)phenyl]phenyl] 2-methylprop-2-enoate (CID 123733375) is [4-[4-(2-methylbut-2-enoxymethoxy)phenyl]phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-[4-(2-methylbut-2-enoxymethoxy)phenyl]phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-[4-(2-methylbut-2-enoxymethoxy)phenyl]phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(-c2ccc(OCOCC(C)=CC)cc2)cc1.
What is the InChIKey of [4-[4-(2-methylbut-2-enoxymethoxy)phenyl]phenyl] 2-methylprop-2-enoate?
The InChIKey is CGMUVKLNFKBBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O4/c1-5-17(4)14-24-15-25-20-10-6-18(7-11-20)19-8-12-21(13-9-19)26-22(23)16(2)3/h5-13H,2,14-15H2,1,3-4H3.
What are the key properties of [4-[4-(2-methylbut-2-enoxymethoxy)phenyl]phenyl] 2-methylprop-2-enoate?
[4-[4-(2-methylbut-2-enoxymethoxy)phenyl]phenyl] 2-methylprop-2-enoate has a molecular weight of 352.43 g/mol, XLogP of 5.15, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2-methylbut-2-enoxymethoxy)phenyl]phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 123733375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).