(2-oxo-3-phenyl-1-propoxypropyl) 2-methylprop-2-enoate

C16H20O4 — CID 67822901

IUPAC(2-oxo-3-phenyl-1-propoxypropyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(OCCC)C(=O)Cc1ccccc1
InChIInChI=1S/C16H20O4/c1-4-10-19-16(20-15(18)12(2)3)14(17)11-13-8-6-5-7-9-13/h5-9,16H,2,4,10-11H2,1,3H3
InChIKeySDFSIKQGPOUKSM-UHFFFAOYSA-N
MW276.33 g/mol
LogP2.67
Rot. Bonds8

About (2-oxo-3-phenyl-1-propoxypropyl) 2-methylprop-2-enoate

(2-oxo-3-phenyl-1-propoxypropyl) 2-methylprop-2-enoate (PubChem CID 67822901) has the molecular formula C16H20O4 and a molecular weight of 276.33 g/mol. Its IUPAC name is (2-oxo-3-phenyl-1-propoxypropyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2-oxo-3-phenyl-1-propoxypropyl) 2-methylprop-2-enoate
PubChem CID67822901
Molecular FormulaC16H20O4
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name(2-oxo-3-phenyl-1-propoxypropyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(OCCC)C(=O)Cc1ccccc1
InChIInChI=1S/C16H20O4/c1-4-10-19-16(20-15(18)12(2)3)14(17)11-13-8-6-5-7-9-13/h5-9,16H,2,4,10-11H2,1,3H3
InChIKeySDFSIKQGPOUKSM-UHFFFAOYSA-N
XLogP2.67
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-phenylpropan-2-yl 2-methylprop-2-enoate
CID 68742666
1-phenylmethoxybutyl 2-methylprop-2-enoate
CID 176719356
benzyl-dimethyl-[1-(2-methylprop-2-enoyloxy)butyl]azanium bromide
CID 142712837
benzyl 2-methylprop-2-enoate;butane
CID 174907722
1-phenylnonyl 2-methylprop-2-enoate
CID 22335755
1-phenyldecyl 2-methylprop-2-enoate
CID 140764423
(2-nitro-1-phenylethyl) 2-methylprop-2-enoate
CID 70388318
1,3-dibenzhydryloxypropan-2-yl 2-methylprop-2-enoate
CID 175128575
4-(2-dipropoxysilylphenyl)butan-2-yl 2-methylprop-2-enoate
CID 137327664
ethane-1,2-diol;1-phenylethyl 2-methylprop-2-enoate
CID 22590329
1-phenyl-2-propoxypentan-3-one
CID 83226669
benzyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 21188240

Frequently Asked Questions

What is the IUPAC name of (2-oxo-3-phenyl-1-propoxypropyl) 2-methylprop-2-enoate?
The IUPAC name of (2-oxo-3-phenyl-1-propoxypropyl) 2-methylprop-2-enoate (CID 67822901) is (2-oxo-3-phenyl-1-propoxypropyl) 2-methylprop-2-enoate.
What is the SMILES notation for (2-oxo-3-phenyl-1-propoxypropyl) 2-methylprop-2-enoate?
The canonical SMILES for (2-oxo-3-phenyl-1-propoxypropyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC(OCCC)C(=O)Cc1ccccc1.
What is the InChIKey of (2-oxo-3-phenyl-1-propoxypropyl) 2-methylprop-2-enoate?
The InChIKey is SDFSIKQGPOUKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O4/c1-4-10-19-16(20-15(18)12(2)3)14(17)11-13-8-6-5-7-9-13/h5-9,16H,2,4,10-11H2,1,3H3.
What are the key properties of (2-oxo-3-phenyl-1-propoxypropyl) 2-methylprop-2-enoate?
(2-oxo-3-phenyl-1-propoxypropyl) 2-methylprop-2-enoate has a molecular weight of 276.33 g/mol, XLogP of 2.67, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-3-phenyl-1-propoxypropyl) 2-methylprop-2-enoate is sourced from PubChem (CID 67822901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).