[4-[4-(2-methylprop-1-enoxy)phenyl]phenyl] 2-methylprop-2-enoate

C20H20O3 — CID 118907469

IUPAC[4-[4-(2-methylprop-1-enoxy)phenyl]phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(-c2ccc(OC=C(C)C)cc2)cc1
InChIInChI=1S/C20H20O3/c1-14(2)13-22-18-9-5-16(6-10-18)17-7-11-19(12-8-17)23-20(21)15(3)4/h5-13H,3H2,1-2,4H3
InChIKeyWIXQCUWTLIRFTC-UHFFFAOYSA-N
MW308.38 g/mol
LogP5.14
Rot. Bonds5

About [4-[4-(2-methylprop-1-enoxy)phenyl]phenyl] 2-methylprop-2-enoate

[4-[4-(2-methylprop-1-enoxy)phenyl]phenyl] 2-methylprop-2-enoate (PubChem CID 118907469) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is [4-[4-(2-methylprop-1-enoxy)phenyl]phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-[4-(2-methylprop-1-enoxy)phenyl]phenyl] 2-methylprop-2-enoate
PubChem CID118907469
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Name[4-[4-(2-methylprop-1-enoxy)phenyl]phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(-c2ccc(OC=C(C)C)cc2)cc1
InChIInChI=1S/C20H20O3/c1-14(2)13-22-18-9-5-16(6-10-18)17-7-11-19(12-8-17)23-20(21)15(3)4/h5-13H,3H2,1-2,4H3
InChIKeyWIXQCUWTLIRFTC-UHFFFAOYSA-N
XLogP5.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.38
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-[4-(2-methylprop-1-enoxy)phenyl]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-(4-formyloxyphenyl)phenyl] 2-methylprop-2-enoate;2-methylprop-1-ene
CID 144966682
2-[4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate
CID 123993816
[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-(4-ethenylphenyl)phenyl] 2-methylprop-2-enoate
CID 90249392
2-[4-[2-(2-methylprop-1-enoxy)-4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl]phenoxy]ethyl 2-methylprop-2-enoate
CID 118907602
[4-[3-chloro-5-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 67472309
[4-[[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]methyl]phenyl] 2-methylprop-2-enoate
CID 155241279
[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-(methoxymethyl)prop-2-enoate
CID 146704143
[4-[4-[2-(3-methylbuta-1,3-dien-2-yloxy)ethenyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 123740075
[4-[4-[2-[4-(4-prop-2-enoyloxyphenyl)phenyl]ethyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 155219900
[4-[2,5-dimethyl-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 135130109

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2-methylprop-1-enoxy)phenyl]phenyl] 2-methylprop-2-enoate?
The IUPAC name of [4-[4-(2-methylprop-1-enoxy)phenyl]phenyl] 2-methylprop-2-enoate (CID 118907469) is [4-[4-(2-methylprop-1-enoxy)phenyl]phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-[4-(2-methylprop-1-enoxy)phenyl]phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-[4-(2-methylprop-1-enoxy)phenyl]phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(-c2ccc(OC=C(C)C)cc2)cc1.
What is the InChIKey of [4-[4-(2-methylprop-1-enoxy)phenyl]phenyl] 2-methylprop-2-enoate?
The InChIKey is WIXQCUWTLIRFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O3/c1-14(2)13-22-18-9-5-16(6-10-18)17-7-11-19(12-8-17)23-20(21)15(3)4/h5-13H,3H2,1-2,4H3.
What are the key properties of [4-[4-(2-methylprop-1-enoxy)phenyl]phenyl] 2-methylprop-2-enoate?
[4-[4-(2-methylprop-1-enoxy)phenyl]phenyl] 2-methylprop-2-enoate has a molecular weight of 308.38 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2-methylprop-1-enoxy)phenyl]phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 118907469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).