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

C18H16O2 — CID 54432121

IUPAC[4-(2-phenylethenyl)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(C=Cc2ccccc2)cc1
InChIInChI=1S/C18H16O2/c1-14(2)18(19)20-17-12-10-16(11-13-17)9-8-15-6-4-3-5-7-15/h3-13H,1H2,2H3
InChIKeyWIEWZYUYYIJIGK-UHFFFAOYSA-N
MW264.32 g/mol
LogP4.34
Rot. Bonds4

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

[4-(2-phenylethenyl)phenyl] 2-methylprop-2-enoate (PubChem CID 54432121) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is [4-(2-phenylethenyl)phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-(2-phenylethenyl)phenyl] 2-methylprop-2-enoate
PubChem CID54432121
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name[4-(2-phenylethenyl)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(C=Cc2ccccc2)cc1
InChIInChI=1S/C18H16O2/c1-14(2)18(19)20-17-12-10-16(11-13-17)9-8-15-6-4-3-5-7-15/h3-13H,1H2,2H3
InChIKeyWIEWZYUYYIJIGK-UHFFFAOYSA-N
XLogP4.34
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 ≤ 54.34
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

[3-(2-methylprop-2-enoyloxy)-5-[(E)-2-phenylethenyl]phenyl] 2-methylprop-2-enoate
CID 155004792
[4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenyl] 2-methylprop-2-enoate
CID 70479424
phenyl 2-methylprop-2-enoate;styrene
CID 22227486
[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenoxy]-3-oxoprop-1-enyl]phenyl] 2-methylprop-2-enoate
CID 118657767
[3-oxo-3-[4-(2-phenylethenyl)phenoxy]propyl] 2-methylprop-2-enoate
CID 118976656
2-methylprop-2-enoic acid;phenyl 2-methylprop-2-enoate
CID 69302463
[4-[2-[4-[2-[2-fluoro-4-[2-[4-(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl] 2-methylprop-2-enoate
CID 123579175
phenyl 2-methylprop-2-enoate;phenyl prop-2-enoate
CID 20561455
[4-(2-quinolin-4-ylethenyl)phenyl] 2-methylprop-2-enoate
CID 67642665
[3-[(E)-2-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate
CID 155004805
[4-[4-[2-(3-methylbuta-1,3-dien-2-yloxy)ethenyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 123740075
[4-[(E)-3-(4-aminophenyl)prop-2-enoyl]oxyphenyl] 2-methylprop-2-enoate
CID 58870921

Frequently Asked Questions

What is the IUPAC name of [4-(2-phenylethenyl)phenyl] 2-methylprop-2-enoate?
The IUPAC name of [4-(2-phenylethenyl)phenyl] 2-methylprop-2-enoate (CID 54432121) is [4-(2-phenylethenyl)phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-(2-phenylethenyl)phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-(2-phenylethenyl)phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(C=Cc2ccccc2)cc1.
What is the InChIKey of [4-(2-phenylethenyl)phenyl] 2-methylprop-2-enoate?
The InChIKey is WIEWZYUYYIJIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2/c1-14(2)18(19)20-17-12-10-16(11-13-17)9-8-15-6-4-3-5-7-15/h3-13H,1H2,2H3.
What are the key properties of [4-(2-phenylethenyl)phenyl] 2-methylprop-2-enoate?
[4-(2-phenylethenyl)phenyl] 2-methylprop-2-enoate has a molecular weight of 264.32 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-phenylethenyl)phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 54432121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).