methyl 2-[acetyloxy-(4-methoxyphenyl)methyl]prop-2-enoate

C14H16O5 — CID 11149724

IUPACmethyl 2-[acetyloxy-(4-methoxyphenyl)methyl]prop-2-enoate
SMILESC=C(C(=O)OC)C(OC(C)=O)c1ccc(OC)cc1
InChIInChI=1S/C14H16O5/c1-9(14(16)18-4)13(19-10(2)15)11-5-7-12(17-3)8-6-11/h5-8,13H,1H2,2-4H3
InChIKeyXBCRXHRIVDBBQT-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.03
Rot. Bonds5

About methyl 2-[acetyloxy-(4-methoxyphenyl)methyl]prop-2-enoate

methyl 2-[acetyloxy-(4-methoxyphenyl)methyl]prop-2-enoate (PubChem CID 11149724) has the molecular formula C14H16O5 and a molecular weight of 264.28 g/mol. Its IUPAC name is methyl 2-[acetyloxy-(4-methoxyphenyl)methyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[acetyloxy-(4-methoxyphenyl)methyl]prop-2-enoate
PubChem CID11149724
Molecular FormulaC14H16O5
Molecular Weight264.28 g/mol
Exact Mass264.10
IUPAC Namemethyl 2-[acetyloxy-(4-methoxyphenyl)methyl]prop-2-enoate
SMILESC=C(C(=O)OC)C(OC(C)=O)c1ccc(OC)cc1
InChIInChI=1S/C14H16O5/c1-9(14(16)18-4)13(19-10(2)15)11-5-7-12(17-3)8-6-11/h5-8,13H,1H2,2-4H3
InChIKeyXBCRXHRIVDBBQT-UHFFFAOYSA-N
XLogP2.03
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1'-Acetoxychavicol Acetate
CID 119104
4-Methoxybenzyl acetate
CID 7695
Methyl anisate
CID 8499
4-(p-ACETOXYPHENYL)-2-BUTANONE
CID 19137
Anisyl propionate
CID 61417
Ethyl anisate
CID 60979
Ethyl 2-Methoxybenzoate
CID 81784
p-Cresyl octanoate
CID 43046
Anisyl butyrate
CID 243675
4-Methoxyphenylacetic Acid
CID 7690
Dihydrogalangal acetate
CID 14638401
Anisyl phenylacetate
CID 7599

Frequently Asked Questions

What is the IUPAC name of methyl 2-[acetyloxy-(4-methoxyphenyl)methyl]prop-2-enoate?
The IUPAC name of methyl 2-[acetyloxy-(4-methoxyphenyl)methyl]prop-2-enoate (CID 11149724) is methyl 2-[acetyloxy-(4-methoxyphenyl)methyl]prop-2-enoate.
What is the SMILES notation for methyl 2-[acetyloxy-(4-methoxyphenyl)methyl]prop-2-enoate?
The canonical SMILES for methyl 2-[acetyloxy-(4-methoxyphenyl)methyl]prop-2-enoate is C=C(C(=O)OC)C(OC(C)=O)c1ccc(OC)cc1.
What is the InChIKey of methyl 2-[acetyloxy-(4-methoxyphenyl)methyl]prop-2-enoate?
The InChIKey is XBCRXHRIVDBBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O5/c1-9(14(16)18-4)13(19-10(2)15)11-5-7-12(17-3)8-6-11/h5-8,13H,1H2,2-4H3.
What are the key properties of methyl 2-[acetyloxy-(4-methoxyphenyl)methyl]prop-2-enoate?
methyl 2-[acetyloxy-(4-methoxyphenyl)methyl]prop-2-enoate has a molecular weight of 264.28 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[acetyloxy-(4-methoxyphenyl)methyl]prop-2-enoate is sourced from PubChem (CID 11149724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).