[4-(4-ethenylphenyl)phenyl] 2-methylprop-2-enoate

C18H16O2 — CID 90249392

IUPAC[4-(4-ethenylphenyl)phenyl] 2-methylprop-2-enoate
SMILESC=Cc1ccc(-c2ccc(OC(=O)C(=C)C)cc2)cc1
InChIInChI=1S/C18H16O2/c1-4-14-5-7-15(8-6-14)16-9-11-17(12-10-16)20-18(19)13(2)3/h4-12H,1-2H2,3H3
InChIKeyOAPODARJUCINPR-UHFFFAOYSA-N
MW264.32 g/mol
LogP4.48
Rot. Bonds4

About [4-(4-ethenylphenyl)phenyl] 2-methylprop-2-enoate

[4-(4-ethenylphenyl)phenyl] 2-methylprop-2-enoate (PubChem CID 90249392) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is [4-(4-ethenylphenyl)phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-(4-ethenylphenyl)phenyl] 2-methylprop-2-enoate
PubChem CID90249392
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name[4-(4-ethenylphenyl)phenyl] 2-methylprop-2-enoate
SMILESC=Cc1ccc(-c2ccc(OC(=O)C(=C)C)cc2)cc1
InChIInChI=1S/C18H16O2/c1-4-14-5-7-15(8-6-14)16-9-11-17(12-10-16)20-18(19)13(2)3/h4-12H,1-2H2,3H3
InChIKeyOAPODARJUCINPR-UHFFFAOYSA-N
XLogP4.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[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
phenyl 2-methylprop-2-enoate;styrene
CID 22227486
(4-ethenylphenyl) 2-oxopropanoate
CID 67863949
[4-[4-[2-(3-methylbuta-1,3-dien-2-yloxy)ethenyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 123740075
[4-(4-formyloxyphenyl)phenyl] 2-methylprop-2-enoate;2-methylprop-1-ene
CID 144966682
[4-[4-(2-methylprop-1-enoxy)phenyl]phenyl] 2-methylprop-2-enoate
CID 118907469
[4-[4-[2-[4-(4-prop-2-enoyloxyphenyl)phenyl]ethyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 155219900
[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenoxy]-3-oxoprop-1-enyl]phenyl] 2-methylprop-2-enoate
CID 118657767
[4-(2-phenylethenyl)phenyl] 2-methylprop-2-enoate
CID 54432121
2-[4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate
CID 123993816
1,4-bis(ethenyl)benzene;prop-2-enyl 2-methylprop-2-enoate
CID 174791645

Frequently Asked Questions

What is the IUPAC name of [4-(4-ethenylphenyl)phenyl] 2-methylprop-2-enoate?
The IUPAC name of [4-(4-ethenylphenyl)phenyl] 2-methylprop-2-enoate (CID 90249392) is [4-(4-ethenylphenyl)phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-(4-ethenylphenyl)phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-(4-ethenylphenyl)phenyl] 2-methylprop-2-enoate is C=Cc1ccc(-c2ccc(OC(=O)C(=C)C)cc2)cc1.
What is the InChIKey of [4-(4-ethenylphenyl)phenyl] 2-methylprop-2-enoate?
The InChIKey is OAPODARJUCINPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2/c1-4-14-5-7-15(8-6-14)16-9-11-17(12-10-16)20-18(19)13(2)3/h4-12H,1-2H2,3H3.
What are the key properties of [4-(4-ethenylphenyl)phenyl] 2-methylprop-2-enoate?
[4-(4-ethenylphenyl)phenyl] 2-methylprop-2-enoate has a molecular weight of 264.32 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethenylphenyl)phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 90249392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).