methyl 4-(4-prop-2-enoxyphenyl)benzoate

C17H16O3 — CID 22625454

IUPACmethyl 4-(4-prop-2-enoxyphenyl)benzoate
SMILESC=CCOc1ccc(-c2ccc(C(=O)OC)cc2)cc1
InChIInChI=1S/C17H16O3/c1-3-12-20-16-10-8-14(9-11-16)13-4-6-15(7-5-13)17(18)19-2/h3-11H,1,12H2,2H3
InChIKeyTWWRJOJCLRZSPP-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.70
Rot. Bonds5

About methyl 4-(4-prop-2-enoxyphenyl)benzoate

methyl 4-(4-prop-2-enoxyphenyl)benzoate (PubChem CID 22625454) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is methyl 4-(4-prop-2-enoxyphenyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(4-prop-2-enoxyphenyl)benzoate
PubChem CID22625454
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Namemethyl 4-(4-prop-2-enoxyphenyl)benzoate
SMILESC=CCOc1ccc(-c2ccc(C(=O)OC)cc2)cc1
InChIInChI=1S/C17H16O3/c1-3-12-20-16-10-8-14(9-11-16)13-4-6-15(7-5-13)17(18)19-2/h3-11H,1,12H2,2H3
InChIKeyTWWRJOJCLRZSPP-UHFFFAOYSA-N
XLogP3.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-methoxyphenyl)phenyl] 4-(4-prop-2-enoxyphenyl)benzoate
CID 19853406
(4-prop-2-enoxyphenyl) 4-prop-2-enoxybenzoate
CID 70257888
[4-(4-methoxyphenoxy)carbonylphenyl] 4-prop-2-enoxybenzoate
CID 18368747
(4-prop-2-enoxyphenyl) 4-methoxybenzoate
CID 71332396
methyl 4-[4-(4-prop-2-enoyloxybutoxy)phenyl]benzoate
CID 58785395
iron;methyl 4-(4-methoxycarbonylphenyl)benzoate
CID 159353152
methyl 4-(4-bromobut-2-enoxy)benzoate
CID 53406810
carbon dioxide;(4-methylphenyl) 4-prop-2-enoxybenzoate
CID 123884420
methyl 3-[(4-prop-2-enoxybenzoyl)amino]benzoate
CID 53285181
1-(4-prop-2-enoxyphenyl)butane-1,3-dione
CID 54091970
methyl 4-[4-(8-bromooctoxy)phenyl]benzoate
CID 21182253
1-(4-ethoxyphenyl)-2-(4-prop-2-enoxyphenyl)ethane-1,2-dione
CID 129074944

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-prop-2-enoxyphenyl)benzoate?
The IUPAC name of methyl 4-(4-prop-2-enoxyphenyl)benzoate (CID 22625454) is methyl 4-(4-prop-2-enoxyphenyl)benzoate.
What is the SMILES notation for methyl 4-(4-prop-2-enoxyphenyl)benzoate?
The canonical SMILES for methyl 4-(4-prop-2-enoxyphenyl)benzoate is C=CCOc1ccc(-c2ccc(C(=O)OC)cc2)cc1.
What is the InChIKey of methyl 4-(4-prop-2-enoxyphenyl)benzoate?
The InChIKey is TWWRJOJCLRZSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-3-12-20-16-10-8-14(9-11-16)13-4-6-15(7-5-13)17(18)19-2/h3-11H,1,12H2,2H3.
What are the key properties of methyl 4-(4-prop-2-enoxyphenyl)benzoate?
methyl 4-(4-prop-2-enoxyphenyl)benzoate has a molecular weight of 268.31 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-prop-2-enoxyphenyl)benzoate is sourced from PubChem (CID 22625454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).