[2-[3-(2-methoxyphenyl)prop-2-enoyl]phenyl] acetate

C18H16O4 — CID 71385450

IUPAC[2-[3-(2-methoxyphenyl)prop-2-enoyl]phenyl] acetate
SMILESCOc1ccccc1C=CC(=O)c1ccccc1OC(C)=O
InChIInChI=1S/C18H16O4/c1-13(19)22-18-10-6-4-8-15(18)16(20)12-11-14-7-3-5-9-17(14)21-2/h3-12H,1-2H3
InChIKeyWXBYZOFUZLXVFA-UHFFFAOYSA-N
MW296.32 g/mol
LogP3.52
Rot. Bonds5

About [2-[3-(2-methoxyphenyl)prop-2-enoyl]phenyl] acetate

[2-[3-(2-methoxyphenyl)prop-2-enoyl]phenyl] acetate (PubChem CID 71385450) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is [2-[3-(2-methoxyphenyl)prop-2-enoyl]phenyl] acetate.

Molecular Properties

Compound Name[2-[3-(2-methoxyphenyl)prop-2-enoyl]phenyl] acetate
PubChem CID71385450
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name[2-[3-(2-methoxyphenyl)prop-2-enoyl]phenyl] acetate
SMILESCOc1ccccc1C=CC(=O)c1ccccc1OC(C)=O
InChIInChI=1S/C18H16O4/c1-13(19)22-18-10-6-4-8-15(18)16(20)12-11-14-7-3-5-9-17(14)21-2/h3-12H,1-2H3
InChIKeyWXBYZOFUZLXVFA-UHFFFAOYSA-N
XLogP3.52
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.52
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

(E)-1-(2-methoxy-4-methylphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 24561832
(Z)-3-(2-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 25021886
[2-[3-(4-methylphenyl)prop-2-enoyl]phenyl] acetate
CID 2795085
1-(2,5-dimethylphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 3425337
1-(2,4-difluorophenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 75849637
[2-(3-oxo-3-phenylprop-1-enyl)phenyl] 2-methoxybenzoate
CID 5088439
[2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]phenyl] 2,6-dimethoxybenzoate
CID 20998447
3-(2-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 3292811
[2-(3-oxo-3-phenylprop-1-enyl)phenyl] 2,6-dimethoxybenzoate
CID 3498257
[2-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]phenyl] acetate
CID 139234408
(E)-1-(5-bromo-2,4-dihydroxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 6447965
5-bromo-2-hydroxy-3-[3-(2-methoxyphenyl)prop-2-enoyl]cyclohepta-2,4,6-trien-1-one
CID 71966517

Frequently Asked Questions

What is the IUPAC name of [2-[3-(2-methoxyphenyl)prop-2-enoyl]phenyl] acetate?
The IUPAC name of [2-[3-(2-methoxyphenyl)prop-2-enoyl]phenyl] acetate (CID 71385450) is [2-[3-(2-methoxyphenyl)prop-2-enoyl]phenyl] acetate.
What is the SMILES notation for [2-[3-(2-methoxyphenyl)prop-2-enoyl]phenyl] acetate?
The canonical SMILES for [2-[3-(2-methoxyphenyl)prop-2-enoyl]phenyl] acetate is COc1ccccc1C=CC(=O)c1ccccc1OC(C)=O.
What is the InChIKey of [2-[3-(2-methoxyphenyl)prop-2-enoyl]phenyl] acetate?
The InChIKey is WXBYZOFUZLXVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O4/c1-13(19)22-18-10-6-4-8-15(18)16(20)12-11-14-7-3-5-9-17(14)21-2/h3-12H,1-2H3.
What are the key properties of [2-[3-(2-methoxyphenyl)prop-2-enoyl]phenyl] acetate?
[2-[3-(2-methoxyphenyl)prop-2-enoyl]phenyl] acetate has a molecular weight of 296.32 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(2-methoxyphenyl)prop-2-enoyl]phenyl] acetate is sourced from PubChem (CID 71385450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).