2-[4-(4-methoxybenzoyl)phenoxy]ethyl prop-2-enoate

C19H18O5 — CID 67393291

IUPAC2-[4-(4-methoxybenzoyl)phenoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1ccc(C(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H18O5/c1-3-18(20)24-13-12-23-17-10-6-15(7-11-17)19(21)14-4-8-16(22-2)9-5-14/h3-11H,1,12-13H2,2H3
InChIKeyQYZWXGKFZSEJBT-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.03
Rot. Bonds8

About 2-[4-(4-methoxybenzoyl)phenoxy]ethyl prop-2-enoate

2-[4-(4-methoxybenzoyl)phenoxy]ethyl prop-2-enoate (PubChem CID 67393291) has the molecular formula C19H18O5 and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-[4-(4-methoxybenzoyl)phenoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[4-(4-methoxybenzoyl)phenoxy]ethyl prop-2-enoate
PubChem CID67393291
Molecular FormulaC19H18O5
Molecular Weight326.35 g/mol
Exact Mass326.12
IUPAC Name2-[4-(4-methoxybenzoyl)phenoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1ccc(C(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H18O5/c1-3-18(20)24-13-12-23-17-10-6-15(7-11-17)19(21)14-4-8-16(22-2)9-5-14/h3-11H,1,12-13H2,2H3
InChIKeyQYZWXGKFZSEJBT-UHFFFAOYSA-N
XLogP3.03
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(4-methoxyphenyl)phenoxy]ethyl prop-2-enoate
CID 59181081
(4-methoxyphenyl)-phenylmethanone;trimethyl(2-prop-2-enoyloxyethyl)azanium;bromide
CID 23037628
[4-(4-methoxybenzoyl)phenyl]methyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium bromide
CID 86744146
2-[4-(2,2-dimethoxyacetyl)phenoxy]ethyl prop-2-enoate
CID 59017570
2-[2-(4-prop-1-en-2-ylphenoxy)ethoxy]ethyl prop-2-enoate
CID 163299706
2-[4-[7,9-bis(4-methoxyphenyl)-10-[4-(2-prop-2-enoyloxyethoxy)phenyl]phenanthren-2-yl]phenoxy]ethyl prop-2-enoate
CID 118934477
4-methoxyaniline;4-(5-prop-2-enoyloxypentoxy)benzoic acid
CID 70364014
[4-(4-methoxyphenyl)phenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate
CID 59668546
2-[2-[1-[2-(4-benzoylphenoxy)ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 134268276
2-(4-bromophenoxy)ethyl prop-2-enoate
CID 141115524
2-[4-(4-carbonochloridoylphenyl)phenoxy]ethyl prop-2-enoate
CID 15789891
[4-(2-hydroxyethoxy)phenyl]-(4-methoxyphenyl)methanone
CID 66778395

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxybenzoyl)phenoxy]ethyl prop-2-enoate?
The IUPAC name of 2-[4-(4-methoxybenzoyl)phenoxy]ethyl prop-2-enoate (CID 67393291) is 2-[4-(4-methoxybenzoyl)phenoxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[4-(4-methoxybenzoyl)phenoxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[4-(4-methoxybenzoyl)phenoxy]ethyl prop-2-enoate is C=CC(=O)OCCOc1ccc(C(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[4-(4-methoxybenzoyl)phenoxy]ethyl prop-2-enoate?
The InChIKey is QYZWXGKFZSEJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O5/c1-3-18(20)24-13-12-23-17-10-6-15(7-11-17)19(21)14-4-8-16(22-2)9-5-14/h3-11H,1,12-13H2,2H3.
What are the key properties of 2-[4-(4-methoxybenzoyl)phenoxy]ethyl prop-2-enoate?
2-[4-(4-methoxybenzoyl)phenoxy]ethyl prop-2-enoate has a molecular weight of 326.35 g/mol, XLogP of 3.03, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxybenzoyl)phenoxy]ethyl prop-2-enoate is sourced from PubChem (CID 67393291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).