(5-acetyl-2-methoxyphenyl)methyl (E)-3-(4-methoxyphenyl)prop-2-enoate

C20H20O5 — CID 6087705

IUPAC(5-acetyl-2-methoxyphenyl)methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
SMILESCOc1ccc(/C=C/C(=O)OCc2cc(C(C)=O)ccc2OC)cc1
InChIInChI=1S/C20H20O5/c1-14(21)16-7-10-19(24-3)17(12-16)13-25-20(22)11-6-15-4-8-18(23-2)9-5-15/h4-12H,13H2,1-3H3/b11-6+
InChIKeyUSMVHKPMNDTRAX-IZZDOVSWSA-N
MW340.38 g/mol
LogP3.66
Rot. Bonds7

About (5-acetyl-2-methoxyphenyl)methyl (E)-3-(4-methoxyphenyl)prop-2-enoate

(5-acetyl-2-methoxyphenyl)methyl (E)-3-(4-methoxyphenyl)prop-2-enoate (PubChem CID 6087705) has the molecular formula C20H20O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is (5-acetyl-2-methoxyphenyl)methyl (E)-3-(4-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name(5-acetyl-2-methoxyphenyl)methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
PubChem CID6087705
Molecular FormulaC20H20O5
Molecular Weight340.38 g/mol
Exact Mass340.13
IUPAC Name(5-acetyl-2-methoxyphenyl)methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
SMILESCOc1ccc(/C=C/C(=O)OCc2cc(C(C)=O)ccc2OC)cc1
InChIInChI=1S/C20H20O5/c1-14(21)16-7-10-19(24-3)17(12-16)13-25-20(22)11-6-15-4-8-18(23-2)9-5-15/h4-12H,13H2,1-3H3/b11-6+
InChIKeyUSMVHKPMNDTRAX-IZZDOVSWSA-N
XLogP3.66
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.66
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

(5-acetyl-2-methoxyphenyl)methyl 3-(3-methoxyphenyl)prop-2-enoate
CID 71954010
[2,5-dimethoxy-4-[3-(4-methoxyphenyl)prop-2-enoyloxymethyl]phenyl]methyl 3-(4-methoxyphenyl)prop-2-enoate
CID 74061768
(5-acetyl-2-methoxyphenyl)methyl (E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)prop-2-enoate
CID 7683917
(5-acetyl-2-methoxyphenyl)methyl (E)-3-(2-nitrophenyl)prop-2-enoate
CID 2489823
1-[4-methoxy-3-(naphthalen-2-yloxymethyl)phenyl]ethanone
CID 7919546
(5-acetyl-2-methoxyphenyl)methyl 2-hydroxy-5-methoxybenzoate
CID 7429918
(2-methoxy-5-methylphenyl)methyl (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 7604112
(5-fluoro-2-methoxyphenyl)methyl (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 7949466
(5-acetyl-2-methoxyphenyl)methyl (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate
CID 7568431
(5-acetyl-2-methoxyphenyl)methyl 2,3,4,5,6-pentamethylbenzoate
CID 7235428
(2,5-dimethylphenyl)methyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate
CID 7740706
1-[3-[[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxymethyl]-4-methoxyphenyl]ethanone
CID 9355424

Frequently Asked Questions

What is the IUPAC name of (5-acetyl-2-methoxyphenyl)methyl (E)-3-(4-methoxyphenyl)prop-2-enoate?
The IUPAC name of (5-acetyl-2-methoxyphenyl)methyl (E)-3-(4-methoxyphenyl)prop-2-enoate (CID 6087705) is (5-acetyl-2-methoxyphenyl)methyl (E)-3-(4-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for (5-acetyl-2-methoxyphenyl)methyl (E)-3-(4-methoxyphenyl)prop-2-enoate?
The canonical SMILES for (5-acetyl-2-methoxyphenyl)methyl (E)-3-(4-methoxyphenyl)prop-2-enoate is COc1ccc(/C=C/C(=O)OCc2cc(C(C)=O)ccc2OC)cc1.
What is the InChIKey of (5-acetyl-2-methoxyphenyl)methyl (E)-3-(4-methoxyphenyl)prop-2-enoate?
The InChIKey is USMVHKPMNDTRAX-IZZDOVSWSA-N. The full InChI is InChI=1S/C20H20O5/c1-14(21)16-7-10-19(24-3)17(12-16)13-25-20(22)11-6-15-4-8-18(23-2)9-5-15/h4-12H,13H2,1-3H3/b11-6+.
What are the key properties of (5-acetyl-2-methoxyphenyl)methyl (E)-3-(4-methoxyphenyl)prop-2-enoate?
(5-acetyl-2-methoxyphenyl)methyl (E)-3-(4-methoxyphenyl)prop-2-enoate has a molecular weight of 340.38 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyl-2-methoxyphenyl)methyl (E)-3-(4-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 6087705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).