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

C18H18O4 — CID 59181081

IUPAC2-[4-(4-methoxyphenyl)phenoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1ccc(-c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H18O4/c1-3-18(19)22-13-12-21-17-10-6-15(7-11-17)14-4-8-16(20-2)9-5-14/h3-11H,1,12-13H2,2H3
InChIKeyFWYVIDFAZQWGQV-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.47
Rot. Bonds7

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

2-[4-(4-methoxyphenyl)phenoxy]ethyl prop-2-enoate (PubChem CID 59181081) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)phenoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)phenoxy]ethyl prop-2-enoate
PubChem CID59181081
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name2-[4-(4-methoxyphenyl)phenoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1ccc(-c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H18O4/c1-3-18(19)22-13-12-21-17-10-6-15(7-11-17)14-4-8-16(20-2)9-5-14/h3-11H,1,12-13H2,2H3
InChIKeyFWYVIDFAZQWGQV-UHFFFAOYSA-N
XLogP3.47
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.47
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

2-[4-[7,9-bis(4-methoxyphenyl)-10-[4-(2-prop-2-enoyloxyethoxy)phenyl]phenanthren-2-yl]phenoxy]ethyl prop-2-enoate
CID 118934477
2-[4-(4-methoxybenzoyl)phenoxy]ethyl prop-2-enoate
CID 67393291
methane;2-(4-phenylphenoxy)ethyl prop-2-enoate
CID 159356060
3-[4-[4-[4-(3-prop-2-enoyloxypropoxy)phenyl]phenyl]phenoxy]propyl prop-2-enoate
CID 158971258
[4-(4-methoxyphenyl)phenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate
CID 59668546
[4-[4-(2-prop-2-enoyloxyethoxy)phenyl]phenyl]boronic acid
CID 162702389
2-[4-(4-carbonochloridoylphenyl)phenoxy]ethyl prop-2-enoate
CID 15789891
2-[4-[4-(2-methylbutoxy)phenyl]phenoxy]ethyl prop-2-enoate
CID 20566726
[4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]phenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 101360108
2-[4-(4-nitrophenyl)phenoxy]ethyl prop-2-enoate
CID 139922179
2-(4-bromophenoxy)ethyl prop-2-enoate
CID 141115524
methyl 4-[4-(4-prop-2-enoyloxybutoxy)phenyl]benzoate
CID 58785395

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)phenoxy]ethyl prop-2-enoate?
The IUPAC name of 2-[4-(4-methoxyphenyl)phenoxy]ethyl prop-2-enoate (CID 59181081) is 2-[4-(4-methoxyphenyl)phenoxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)phenoxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[4-(4-methoxyphenyl)phenoxy]ethyl prop-2-enoate is C=CC(=O)OCCOc1ccc(-c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)phenoxy]ethyl prop-2-enoate?
The InChIKey is FWYVIDFAZQWGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-3-18(19)22-13-12-21-17-10-6-15(7-11-17)14-4-8-16(20-2)9-5-14/h3-11H,1,12-13H2,2H3.
What are the key properties of 2-[4-(4-methoxyphenyl)phenoxy]ethyl prop-2-enoate?
2-[4-(4-methoxyphenyl)phenoxy]ethyl prop-2-enoate has a molecular weight of 298.34 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)phenoxy]ethyl prop-2-enoate is sourced from PubChem (CID 59181081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).