3-(2-methoxyphenoxy)propyl (E)-3-phenylprop-2-enoate

C19H20O4 — CID 5357048

IUPAC3-(2-methoxyphenoxy)propyl (E)-3-phenylprop-2-enoate
SMILESCOc1ccccc1OCCCOC(=O)/C=C/c1ccccc1
InChIInChI=1S/C19H20O4/c1-21-17-10-5-6-11-18(17)22-14-7-15-23-19(20)13-12-16-8-3-2-4-9-16/h2-6,8-13H,7,14-15H2,1H3/b13-12+
InChIKeyNBKUPQPDXQATIM-OUKQBFOZSA-N
MW312.37 g/mol
LogP3.72
Rot. Bonds8

About 3-(2-methoxyphenoxy)propyl (E)-3-phenylprop-2-enoate

3-(2-methoxyphenoxy)propyl (E)-3-phenylprop-2-enoate (PubChem CID 5357048) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-(2-methoxyphenoxy)propyl (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name3-(2-methoxyphenoxy)propyl (E)-3-phenylprop-2-enoate
PubChem CID5357048
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name3-(2-methoxyphenoxy)propyl (E)-3-phenylprop-2-enoate
SMILESCOc1ccccc1OCCCOC(=O)/C=C/c1ccccc1
InChIInChI=1S/C19H20O4/c1-21-17-10-5-6-11-18(17)22-14-7-15-23-19(20)13-12-16-8-3-2-4-9-16/h2-6,8-13H,7,14-15H2,1H3/b13-12+
InChIKeyNBKUPQPDXQATIM-OUKQBFOZSA-N
XLogP3.72
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

3-prop-2-enoyloxypropyl 3-phenylprop-2-enoate
CID 70566588
2-(3,4-dimethoxyphenyl)ethyl (E)-3-phenylprop-2-enoate
CID 155112210
4-(dimethylamino)butyl (E)-3-phenylprop-2-enoate
CID 21249779
4-(dimethylamino)butyl 3-phenylprop-2-enoate
CID 70229404
3-[(E)-3-phenylprop-2-enoyl]oxypropylazanium
CID 58816851
4-bromobutyl 3-phenylprop-2-enoate
CID 72801384
5-hydroxypentyl 3-phenylprop-2-enoate
CID 71335867
pentyl (E)-3-(4-methoxy-3-pentoxyphenyl)prop-2-enoate
CID 19363451
2-acetyloxyethyl 3-phenylprop-2-enoate
CID 137478335
6-aminohexyl (E)-3-phenylprop-2-enoate;hydrochloride
CID 19066595
3-[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 22685156
14-methylpentadecyl 3-phenylprop-2-enoate
CID 141090504

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenoxy)propyl (E)-3-phenylprop-2-enoate?
The IUPAC name of 3-(2-methoxyphenoxy)propyl (E)-3-phenylprop-2-enoate (CID 5357048) is 3-(2-methoxyphenoxy)propyl (E)-3-phenylprop-2-enoate.
What is the SMILES notation for 3-(2-methoxyphenoxy)propyl (E)-3-phenylprop-2-enoate?
The canonical SMILES for 3-(2-methoxyphenoxy)propyl (E)-3-phenylprop-2-enoate is COc1ccccc1OCCCOC(=O)/C=C/c1ccccc1.
What is the InChIKey of 3-(2-methoxyphenoxy)propyl (E)-3-phenylprop-2-enoate?
The InChIKey is NBKUPQPDXQATIM-OUKQBFOZSA-N. The full InChI is InChI=1S/C19H20O4/c1-21-17-10-5-6-11-18(17)22-14-7-15-23-19(20)13-12-16-8-3-2-4-9-16/h2-6,8-13H,7,14-15H2,1H3/b13-12+.
What are the key properties of 3-(2-methoxyphenoxy)propyl (E)-3-phenylprop-2-enoate?
3-(2-methoxyphenoxy)propyl (E)-3-phenylprop-2-enoate has a molecular weight of 312.37 g/mol, XLogP of 3.72, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenoxy)propyl (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 5357048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).