methyl 4-prop-2-enoyloxybenzoate

C11H10O4 — CID 18402609

IUPACmethyl 4-prop-2-enoyloxybenzoate
SMILESC=CC(=O)Oc1ccc(C(=O)OC)cc1
InChIInChI=1S/C11H10O4/c1-3-10(12)15-9-6-4-8(5-7-9)11(13)14-2/h3-7H,1H2,2H3
InChIKeyWMJVAKULPHVQAB-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.56
Rot. Bonds3

About methyl 4-prop-2-enoyloxybenzoate

methyl 4-prop-2-enoyloxybenzoate (PubChem CID 18402609) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is methyl 4-prop-2-enoyloxybenzoate.

Molecular Properties

Compound Namemethyl 4-prop-2-enoyloxybenzoate
PubChem CID18402609
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Namemethyl 4-prop-2-enoyloxybenzoate
SMILESC=CC(=O)Oc1ccc(C(=O)OC)cc1
InChIInChI=1S/C11H10O4/c1-3-10(12)15-9-6-4-8(5-7-9)11(13)14-2/h3-7H,1H2,2H3
InChIKeyWMJVAKULPHVQAB-UHFFFAOYSA-N
XLogP1.56
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methoxycarbonylphenyl) 4-(prop-2-enoyloxymethoxy)benzoate
CID 54225786
bis(4-methoxycarbonylphenyl) oxalate
CID 70400946
methyl 4-but-3-enoyloxybenzoate
CID 139889158
methyl 4-methoxycarbonyloxybenzoate
CID 584598
(4-hydroxyphenyl) prop-2-enoate;methoxymethane
CID 67882332
methyl 4-(4-methoxycarbonylphenoxy)carbothioyloxybenzoate
CID 14022563
(4-propanoylphenyl) prop-2-enoate
CID 86070287
(4-methylphenyl) 4-(4-prop-2-enoyloxybutoxy)benzoate;methyl 4-(4-prop-2-enoyloxybutoxy)benzoate
CID 158691914
methyl 4-[(E)-1-(methylideneamino)prop-1-enoxy]benzoate
CID 145152584
4-[4-(4-methoxycarbonylphenoxy)carbonylbenzoyl]oxybenzoic acid
CID 130452470
methyl 4-[4-(4-prop-2-enoyloxybutoxy)phenyl]benzoate
CID 58785395
ethane;methyl 4-[(E)-1-(methylideneamino)prop-1-enoxy]benzoate
CID 145152583

Frequently Asked Questions

What is the IUPAC name of methyl 4-prop-2-enoyloxybenzoate?
The IUPAC name of methyl 4-prop-2-enoyloxybenzoate (CID 18402609) is methyl 4-prop-2-enoyloxybenzoate.
What is the SMILES notation for methyl 4-prop-2-enoyloxybenzoate?
The canonical SMILES for methyl 4-prop-2-enoyloxybenzoate is C=CC(=O)Oc1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-prop-2-enoyloxybenzoate?
The InChIKey is WMJVAKULPHVQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c1-3-10(12)15-9-6-4-8(5-7-9)11(13)14-2/h3-7H,1H2,2H3.
What are the key properties of methyl 4-prop-2-enoyloxybenzoate?
methyl 4-prop-2-enoyloxybenzoate has a molecular weight of 206.20 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-prop-2-enoyloxybenzoate is sourced from PubChem (CID 18402609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).