3-(2-phenylethoxy)propyl prop-2-enoate

C14H18O3 — CID 141394105

IUPAC3-(2-phenylethoxy)propyl prop-2-enoate
SMILESC=CC(=O)OCCCOCCc1ccccc1
InChIInChI=1S/C14H18O3/c1-2-14(15)17-11-6-10-16-12-9-13-7-4-3-5-8-13/h2-5,7-8H,1,6,9-12H2
InChIKeyLZGDLRRTVVKSAY-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.37
Rot. Bonds8

About 3-(2-phenylethoxy)propyl prop-2-enoate

3-(2-phenylethoxy)propyl prop-2-enoate (PubChem CID 141394105) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-(2-phenylethoxy)propyl prop-2-enoate.

Molecular Properties

Compound Name3-(2-phenylethoxy)propyl prop-2-enoate
PubChem CID141394105
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name3-(2-phenylethoxy)propyl prop-2-enoate
SMILESC=CC(=O)OCCCOCCc1ccccc1
InChIInChI=1S/C14H18O3/c1-2-14(15)17-11-6-10-16-12-9-13-7-4-3-5-8-13/h2-5,7-8H,1,6,9-12H2
InChIKeyLZGDLRRTVVKSAY-UHFFFAOYSA-N
XLogP2.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-benzylphenyl)ethyl prop-2-enoate
CID 18316835
benzyl prop-2-enoate;2-phenylethyl prop-2-enoate
CID 159252010
2-prop-2-enoyloxyethyl 4-phenylbutanoate
CID 66685598
3-[2-[2-(3-prop-2-enoyloxypropoxy)ethoxy]ethoxy]propyl prop-2-enoate
CID 151846925
4-(4-phenylphenyl)butyl prop-2-enoate
CID 171768287
2-(2-phenylethylsulfonyl)ethyl prop-2-enoate
CID 171762741
prop-1-ene;trimethoxy(2-phenylethyl)silane;3-trimethoxysilylpropyl prop-2-enoate
CID 159399182
3-prop-2-enoyloxypropyl 3-phenylprop-2-enoate
CID 70566588
2-[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]ethyl prop-2-enoate
CID 58556788
phthalic acid;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162086806
2-(3-prop-2-enoyloxypropoxy)ethyl anthracene-9-carboxylate
CID 163713436
3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate
CID 59641461

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethoxy)propyl prop-2-enoate?
The IUPAC name of 3-(2-phenylethoxy)propyl prop-2-enoate (CID 141394105) is 3-(2-phenylethoxy)propyl prop-2-enoate.
What is the SMILES notation for 3-(2-phenylethoxy)propyl prop-2-enoate?
The canonical SMILES for 3-(2-phenylethoxy)propyl prop-2-enoate is C=CC(=O)OCCCOCCc1ccccc1.
What is the InChIKey of 3-(2-phenylethoxy)propyl prop-2-enoate?
The InChIKey is LZGDLRRTVVKSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-2-14(15)17-11-6-10-16-12-9-13-7-4-3-5-8-13/h2-5,7-8H,1,6,9-12H2.
What are the key properties of 3-(2-phenylethoxy)propyl prop-2-enoate?
3-(2-phenylethoxy)propyl prop-2-enoate has a molecular weight of 234.30 g/mol, XLogP of 2.37, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethoxy)propyl prop-2-enoate is sourced from PubChem (CID 141394105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).