(1-ethoxy-3-phenylpropyl) prop-2-enoate

C14H18O3 — CID 118662658

IUPAC(1-ethoxy-3-phenylpropyl) prop-2-enoate
SMILESC=CC(=O)OC(CCc1ccccc1)OCC
InChIInChI=1S/C14H18O3/c1-3-13(15)17-14(16-4-2)11-10-12-8-6-5-7-9-12/h3,5-9,14H,1,4,10-11H2,2H3
InChIKeyWBKWPXWOJVOBBL-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.71
Rot. Bonds7

About (1-ethoxy-3-phenylpropyl) prop-2-enoate

(1-ethoxy-3-phenylpropyl) prop-2-enoate (PubChem CID 118662658) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is (1-ethoxy-3-phenylpropyl) prop-2-enoate.

Molecular Properties

Compound Name(1-ethoxy-3-phenylpropyl) prop-2-enoate
PubChem CID118662658
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name(1-ethoxy-3-phenylpropyl) prop-2-enoate
SMILESC=CC(=O)OC(CCc1ccccc1)OCC
InChIInChI=1S/C14H18O3/c1-3-13(15)17-14(16-4-2)11-10-12-8-6-5-7-9-12/h3,5-9,14H,1,4,10-11H2,2H3
InChIKeyWBKWPXWOJVOBBL-UHFFFAOYSA-N
XLogP2.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-chloro-3-phenylpropyl) prop-2-enoate
CID 174849887
[2-(2-phenylethylamino)-1-prop-2-enoyloxyethyl] prop-2-enoate
CID 175049317
1,1'-biphenyl;1-ethoxyethyl prop-2-enoate
CID 174728082
1-ethoxyethyl prop-2-enoate;1-phenoxyethyl prop-2-enoate
CID 20550277
[4-[N-(4-phenylbutan-2-yl)anilino]phenyl] prop-2-enoate
CID 88981889
benzyl-dimethyl-(1-prop-2-enoyloxypropyl)azanium
CID 174601755
benzyl-diethyl-(2-prop-2-enoyloxypropyl)azanium
CID 3022823
(5,5-diethoxy-4-propan-2-yloxypent-3-enyl)benzene
CID 71383868
1-(benzylamino)ethyl prop-2-enoate;hydrobromide
CID 175525359
ethyl (2R)-2-hydroxy-4-phenylbutanoate
CID 2733848
1,3-bis(benzylsulfanyl)propan-2-yl prop-2-enoate
CID 54311286
ethyl (1-hydroxy-3-phenylpropyl) carbonate
CID 70451495

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-3-phenylpropyl) prop-2-enoate?
The IUPAC name of (1-ethoxy-3-phenylpropyl) prop-2-enoate (CID 118662658) is (1-ethoxy-3-phenylpropyl) prop-2-enoate.
What is the SMILES notation for (1-ethoxy-3-phenylpropyl) prop-2-enoate?
The canonical SMILES for (1-ethoxy-3-phenylpropyl) prop-2-enoate is C=CC(=O)OC(CCc1ccccc1)OCC.
What is the InChIKey of (1-ethoxy-3-phenylpropyl) prop-2-enoate?
The InChIKey is WBKWPXWOJVOBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-3-13(15)17-14(16-4-2)11-10-12-8-6-5-7-9-12/h3,5-9,14H,1,4,10-11H2,2H3.
What are the key properties of (1-ethoxy-3-phenylpropyl) prop-2-enoate?
(1-ethoxy-3-phenylpropyl) prop-2-enoate has a molecular weight of 234.29 g/mol, XLogP of 2.71, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-3-phenylpropyl) prop-2-enoate is sourced from PubChem (CID 118662658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).