[4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenyl] 2-methylprop-2-enoate

C19H16O3 — CID 70479424

IUPAC[4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(/C=C\C(=O)c2ccccc2)cc1
InChIInChI=1S/C19H16O3/c1-14(2)19(21)22-17-11-8-15(9-12-17)10-13-18(20)16-6-4-3-5-7-16/h3-13H,1H2,2H3/b13-10-
InChIKeyDIUWKIIUUNWJHU-RAXLEYEMSA-N
MW292.33 g/mol
LogP4.06
Rot. Bonds5

About [4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenyl] 2-methylprop-2-enoate

[4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenyl] 2-methylprop-2-enoate (PubChem CID 70479424) has the molecular formula C19H16O3 and a molecular weight of 292.33 g/mol. Its IUPAC name is [4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenyl] 2-methylprop-2-enoate
PubChem CID70479424
Molecular FormulaC19H16O3
Molecular Weight292.33 g/mol
Exact Mass292.11
IUPAC Name[4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(/C=C\C(=O)c2ccccc2)cc1
InChIInChI=1S/C19H16O3/c1-14(2)19(21)22-17-11-8-15(9-12-17)10-13-18(20)16-6-4-3-5-7-16/h3-13H,1H2,2H3/b13-10-
InChIKeyDIUWKIIUUNWJHU-RAXLEYEMSA-N
XLogP4.06
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2-phenylethenyl)phenyl] 2-methylprop-2-enoate
CID 54432121
[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenoxy]-3-oxoprop-1-enyl]phenyl] 2-methylprop-2-enoate
CID 118657767
[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] (Z)-3-(4-methoxyphenyl)prop-2-enoate
CID 51521387
[4-[[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]methyl]phenyl] acetate
CID 58289351
(E)-3-(4-phenoxyphenyl)-1-phenylprop-2-en-1-one
CID 6440216
(E)-3-[4-[(E)-2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]ethenyl]phenyl]-1-phenylprop-2-en-1-one
CID 102135410
[2-(2-methylprop-2-enoyloxymethyl)-4-[4-[3-[4-(2-methylprop-2-enoyloxy)phenyl]prop-2-enoyl]phenoxy]butyl] 2-methylprop-2-enoate;yttrium
CID 167370288
[4-[(E)-3-(4-aminophenyl)prop-2-enoyl]oxyphenyl] 2-methylprop-2-enoate
CID 58870921
[4-[3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl] 3-phenylprop-2-enoate
CID 4105954
[4-(3-oxo-3-phenylprop-1-enyl)phenyl] 2-phenylacetate
CID 4080107
1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
[4-(3-oxo-3-phenylprop-1-enyl)phenyl] 2,6-dimethoxybenzoate
CID 3501822

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenyl] 2-methylprop-2-enoate?
The IUPAC name of [4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenyl] 2-methylprop-2-enoate (CID 70479424) is [4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(/C=C\C(=O)c2ccccc2)cc1.
What is the InChIKey of [4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenyl] 2-methylprop-2-enoate?
The InChIKey is DIUWKIIUUNWJHU-RAXLEYEMSA-N. The full InChI is InChI=1S/C19H16O3/c1-14(2)19(21)22-17-11-8-15(9-12-17)10-13-18(20)16-6-4-3-5-7-16/h3-13H,1H2,2H3/b13-10-.
What are the key properties of [4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenyl] 2-methylprop-2-enoate?
[4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenyl] 2-methylprop-2-enoate has a molecular weight of 292.33 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 70479424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).