[4-(2-prop-2-enoyloxyethyl)phenyl] 4-methoxybenzoate

C19H18O5 — CID 145097179

IUPAC[4-(2-prop-2-enoyloxyethyl)phenyl] 4-methoxybenzoate
SMILESC=CC(=O)OCCc1ccc(OC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H18O5/c1-3-18(20)23-13-12-14-4-8-17(9-5-14)24-19(21)15-6-10-16(22-2)11-7-15/h3-11H,1,12-13H2,2H3
InChIKeyVACFEUCITLOBCI-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.19
Rot. Bonds7

About [4-(2-prop-2-enoyloxyethyl)phenyl] 4-methoxybenzoate

[4-(2-prop-2-enoyloxyethyl)phenyl] 4-methoxybenzoate (PubChem CID 145097179) has the molecular formula C19H18O5 and a molecular weight of 326.35 g/mol. Its IUPAC name is [4-(2-prop-2-enoyloxyethyl)phenyl] 4-methoxybenzoate.

Molecular Properties

Compound Name[4-(2-prop-2-enoyloxyethyl)phenyl] 4-methoxybenzoate
PubChem CID145097179
Molecular FormulaC19H18O5
Molecular Weight326.35 g/mol
Exact Mass326.12
IUPAC Name[4-(2-prop-2-enoyloxyethyl)phenyl] 4-methoxybenzoate
SMILESC=CC(=O)OCCc1ccc(OC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H18O5/c1-3-18(20)23-13-12-14-4-8-17(9-5-14)24-19(21)15-6-10-16(22-2)11-7-15/h3-11H,1,12-13H2,2H3
InChIKeyVACFEUCITLOBCI-UHFFFAOYSA-N
XLogP3.19
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[2-[4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoyl]oxyethyl]phenoxy]carbonylbenzoic acid
CID 168764561
[4-[2-(4-methoxyphenyl)ethyl]phenyl] 4-methoxybenzoate
CID 145141089
[4-(4-methoxyphenyl)phenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate
CID 59668546
ethane;[4-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl] 4-[4-(2-methylprop-2-enoyloxy)phenyl]benzoate;[4-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl] 4-(4-prop-2-enoyloxyphenyl)benzoate;bis(2-[4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl]ethyl 2-methylprop-2-enoate);[4-[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]phenyl] 2-methylprop-2-enoate;2-[4-[4-(4-prop-2-enoyloxyphenyl)phenyl]phenyl]ethyl 2-methylprop-2-enoate;(4-prop-2-enoyloxyphenyl) 4-(4-prop-2-enoyloxyphenyl)benzoate
CID 161020570
[4-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl] 4-(4-prop-2-enoyloxyphenyl)benzoate
CID 155219793
[4-(4-ethylphenoxy)carbonylphenyl] 3-methoxy-4-(2-prop-2-enoyloxyethoxy)benzoate
CID 90268492
[4-[4-(prop-2-enoyloxymethyl)benzoyl]oxyphenyl] 4-(prop-2-enoyloxymethyl)benzoate
CID 20718187
[4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenyl] 4-octylbenzoate
CID 118216311
[4-[4-[4-(2-prop-2-enoyloxyethoxy)benzoyl]oxybenzoyl]oxyphenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate
CID 118547325
[4-[4-(2-methoxyethyl)benzoyl]oxyphenyl] 4-(2-methoxyethyl)benzoate
CID 58090360
[4-[2-[4-(6-prop-2-enoyloxyhexoxy)phenyl]ethyl]phenyl] 4-hydroxybenzoate
CID 90048613
methoxymethane;[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-butylbenzoate;[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-ethoxybenzoate;[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-methylbenzoate;[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-propylbenzoate
CID 157170945

Frequently Asked Questions

What is the IUPAC name of [4-(2-prop-2-enoyloxyethyl)phenyl] 4-methoxybenzoate?
The IUPAC name of [4-(2-prop-2-enoyloxyethyl)phenyl] 4-methoxybenzoate (CID 145097179) is [4-(2-prop-2-enoyloxyethyl)phenyl] 4-methoxybenzoate.
What is the SMILES notation for [4-(2-prop-2-enoyloxyethyl)phenyl] 4-methoxybenzoate?
The canonical SMILES for [4-(2-prop-2-enoyloxyethyl)phenyl] 4-methoxybenzoate is C=CC(=O)OCCc1ccc(OC(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of [4-(2-prop-2-enoyloxyethyl)phenyl] 4-methoxybenzoate?
The InChIKey is VACFEUCITLOBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O5/c1-3-18(20)23-13-12-14-4-8-17(9-5-14)24-19(21)15-6-10-16(22-2)11-7-15/h3-11H,1,12-13H2,2H3.
What are the key properties of [4-(2-prop-2-enoyloxyethyl)phenyl] 4-methoxybenzoate?
[4-(2-prop-2-enoyloxyethyl)phenyl] 4-methoxybenzoate has a molecular weight of 326.35 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-prop-2-enoyloxyethyl)phenyl] 4-methoxybenzoate is sourced from PubChem (CID 145097179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).