(2-phenoxy-4-phenylbut-3-enyl) 2-methylprop-2-enoate

C20H20O3 — CID 175194257

IUPAC(2-phenoxy-4-phenylbut-3-enyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C=Cc1ccccc1)Oc1ccccc1
InChIInChI=1S/C20H20O3/c1-16(2)20(21)22-15-19(23-18-11-7-4-8-12-18)14-13-17-9-5-3-6-10-17/h3-14,19H,1,15H2,2H3
InChIKeyANKNWRBOMSZRQI-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.27
Rot. Bonds7

About (2-phenoxy-4-phenylbut-3-enyl) 2-methylprop-2-enoate

(2-phenoxy-4-phenylbut-3-enyl) 2-methylprop-2-enoate (PubChem CID 175194257) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is (2-phenoxy-4-phenylbut-3-enyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2-phenoxy-4-phenylbut-3-enyl) 2-methylprop-2-enoate
PubChem CID175194257
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Name(2-phenoxy-4-phenylbut-3-enyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C=Cc1ccccc1)Oc1ccccc1
InChIInChI=1S/C20H20O3/c1-16(2)20(21)22-15-19(23-18-11-7-4-8-12-18)14-13-17-9-5-3-6-10-17/h3-14,19H,1,15H2,2H3
InChIKeyANKNWRBOMSZRQI-UHFFFAOYSA-N
XLogP4.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-hydroxy-4-phenylbut-3-enyl) 2-methylprop-2-enoate
CID 54174138
[4-(2-methylprop-2-enoyloxy)-6-phenylhex-5-enyl] 2-methylprop-2-enoate
CID 70229754
(4-methyl-1-phenylpent-1-en-3-yl) 2-methylprop-2-enoate
CID 68791034
[2-(diethylamino)-2-phenoxyethyl] 2-methylprop-2-enoate
CID 67680774
[1-(dimethylamino)-3-phenylprop-2-enyl] 2-methylprop-2-enoate
CID 57228939
[(E)-4,4-dimethyl-1-phenylpent-1-en-3-yl] 2-methylprop-2-enoate
CID 167189015
(2-methyl-3-phenoxypropyl) 2-methylprop-2-enoate
CID 59969147
2-methylprop-2-enoic acid;3-phenylprop-2-enyl 2-methylprop-2-enoate
CID 137350549
2-(2-phenoxy-2-prop-2-enoyloxyethoxy)ethyl 2-methylprop-2-enoate
CID 139674274
ethoxybenzene;ethyl 2-methylprop-2-enoate
CID 175299667
[4-(2-phenylethenyl)phenyl] 2-methylprop-2-enoate
CID 54432121
ethane;methane;phenoxymethyl 2-methylprop-2-enoate
CID 161278326

Frequently Asked Questions

What is the IUPAC name of (2-phenoxy-4-phenylbut-3-enyl) 2-methylprop-2-enoate?
The IUPAC name of (2-phenoxy-4-phenylbut-3-enyl) 2-methylprop-2-enoate (CID 175194257) is (2-phenoxy-4-phenylbut-3-enyl) 2-methylprop-2-enoate.
What is the SMILES notation for (2-phenoxy-4-phenylbut-3-enyl) 2-methylprop-2-enoate?
The canonical SMILES for (2-phenoxy-4-phenylbut-3-enyl) 2-methylprop-2-enoate is C=C(C)C(=O)OCC(C=Cc1ccccc1)Oc1ccccc1.
What is the InChIKey of (2-phenoxy-4-phenylbut-3-enyl) 2-methylprop-2-enoate?
The InChIKey is ANKNWRBOMSZRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O3/c1-16(2)20(21)22-15-19(23-18-11-7-4-8-12-18)14-13-17-9-5-3-6-10-17/h3-14,19H,1,15H2,2H3.
What are the key properties of (2-phenoxy-4-phenylbut-3-enyl) 2-methylprop-2-enoate?
(2-phenoxy-4-phenylbut-3-enyl) 2-methylprop-2-enoate has a molecular weight of 308.38 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenoxy-4-phenylbut-3-enyl) 2-methylprop-2-enoate is sourced from PubChem (CID 175194257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).