prop-1-en-2-yl 2-(4-methoxyphenyl)acetate

C12H14O3 — CID 89069215

IUPACprop-1-en-2-yl 2-(4-methoxyphenyl)acetate
SMILESC=C(C)OC(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C12H14O3/c1-9(2)15-12(13)8-10-4-6-11(14-3)7-5-10/h4-7H,1,8H2,2-3H3
InChIKeyVPRGTRMJOVHINU-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.31
Rot. Bonds4

About prop-1-en-2-yl 2-(4-methoxyphenyl)acetate

prop-1-en-2-yl 2-(4-methoxyphenyl)acetate (PubChem CID 89069215) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is prop-1-en-2-yl 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Nameprop-1-en-2-yl 2-(4-methoxyphenyl)acetate
PubChem CID89069215
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Nameprop-1-en-2-yl 2-(4-methoxyphenyl)acetate
SMILESC=C(C)OC(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C12H14O3/c1-9(2)15-12(13)8-10-4-6-11(14-3)7-5-10/h4-7H,1,8H2,2-3H3
InChIKeyVPRGTRMJOVHINU-UHFFFAOYSA-N
XLogP2.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(4-methoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 914131
2-[2-(4-methoxyphenyl)acetyl]oxyethyl 2-methylprop-2-enoate
CID 118031006
[2-(4-methoxyphenyl)acetyl] pentanoate
CID 91448797
(3,5-dimethoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 8753262
3-[2-(4-methoxyphenyl)acetyl]oxypropyl 2-(4-methoxyphenyl)acetate
CID 55393887
methyl 2-[4-(4-methoxyanilino)phenyl]acetate
CID 82535736
[4-[2-(4-methoxyphenyl)ethyl]phenyl] acetate
CID 22081615
1-bromo-3-(4-methoxyphenyl)propan-2-one
CID 15325008
methyl 2-[[2-(4-methoxyphenyl)acetyl]amino]acetate
CID 3423294
(3E)-3-hydroxyimino-4-(4-methoxyphenyl)butan-2-one
CID 162405653
(4-formylphenyl) 2-(4-methoxyphenyl)acetate
CID 39199740
methyl 2-[2-(4-methoxyphenyl)acetyl]benzoate
CID 14946047

Frequently Asked Questions

What is the IUPAC name of prop-1-en-2-yl 2-(4-methoxyphenyl)acetate?
The IUPAC name of prop-1-en-2-yl 2-(4-methoxyphenyl)acetate (CID 89069215) is prop-1-en-2-yl 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for prop-1-en-2-yl 2-(4-methoxyphenyl)acetate?
The canonical SMILES for prop-1-en-2-yl 2-(4-methoxyphenyl)acetate is C=C(C)OC(=O)Cc1ccc(OC)cc1.
What is the InChIKey of prop-1-en-2-yl 2-(4-methoxyphenyl)acetate?
The InChIKey is VPRGTRMJOVHINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-9(2)15-12(13)8-10-4-6-11(14-3)7-5-10/h4-7H,1,8H2,2-3H3.
What are the key properties of prop-1-en-2-yl 2-(4-methoxyphenyl)acetate?
prop-1-en-2-yl 2-(4-methoxyphenyl)acetate has a molecular weight of 206.24 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-yl 2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 89069215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).