2-(2-propylphenoxy)ethyl prop-2-enoate

C14H18O3 — CID 154077444

IUPAC2-(2-propylphenoxy)ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1ccccc1CCC
InChIInChI=1S/C14H18O3/c1-3-7-12-8-5-6-9-13(12)16-10-11-17-14(15)4-2/h4-6,8-9H,2-3,7,10-11H2,1H3
InChIKeyPSTPDWNGAHRYBY-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.75
Rot. Bonds7

About 2-(2-propylphenoxy)ethyl prop-2-enoate

2-(2-propylphenoxy)ethyl prop-2-enoate (PubChem CID 154077444) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 2-(2-propylphenoxy)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(2-propylphenoxy)ethyl prop-2-enoate
PubChem CID154077444
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name2-(2-propylphenoxy)ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1ccccc1CCC
InChIInChI=1S/C14H18O3/c1-3-7-12-8-5-6-9-13(12)16-10-11-17-14(15)4-2/h4-6,8-9H,2-3,7,10-11H2,1H3
InChIKeyPSTPDWNGAHRYBY-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
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-[2-(2-hydroxyethoxy)phenoxy]ethyl prop-2-enoate
CID 147852586
2-(2-prop-2-enoyloxyethoxy)benzoic acid
CID 18974630
2-[2-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl prop-2-enoate
CID 54505506
2-(2,3-diaminophenoxy)ethyl prop-2-enoate
CID 141212699
oxo-bis[2-(2-prop-2-enoyloxyethyl)phenoxy]phosphanium
CID 23219499
2-(2-nonylphenyl)ethyl prop-2-enoate
CID 67822598
2-(2-nitrophenoxy)ethyl prop-2-enoate
CID 102248252
3-(2-acetylphenoxy)propyl prop-2-enoate
CID 142301416
2-[2-(2-phenylphenoxy)ethoxy]ethyl prop-2-enoate
CID 23290048
(2-hexadecylphenyl) prop-2-enoate
CID 141143244
methyl prop-2-enoate;2-phenoxyethyl prop-2-enoate
CID 174741391
3-[4-[3-(2-propylphenoxy)propoxy]phenyl]prop-2-enoic acid
CID 70495721

Frequently Asked Questions

What is the IUPAC name of 2-(2-propylphenoxy)ethyl prop-2-enoate?
The IUPAC name of 2-(2-propylphenoxy)ethyl prop-2-enoate (CID 154077444) is 2-(2-propylphenoxy)ethyl prop-2-enoate.
What is the SMILES notation for 2-(2-propylphenoxy)ethyl prop-2-enoate?
The canonical SMILES for 2-(2-propylphenoxy)ethyl prop-2-enoate is C=CC(=O)OCCOc1ccccc1CCC.
What is the InChIKey of 2-(2-propylphenoxy)ethyl prop-2-enoate?
The InChIKey is PSTPDWNGAHRYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-3-7-12-8-5-6-9-13(12)16-10-11-17-14(15)4-2/h4-6,8-9H,2-3,7,10-11H2,1H3.
What are the key properties of 2-(2-propylphenoxy)ethyl prop-2-enoate?
2-(2-propylphenoxy)ethyl prop-2-enoate has a molecular weight of 234.29 g/mol, XLogP of 2.75, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propylphenoxy)ethyl prop-2-enoate is sourced from PubChem (CID 154077444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).