(2-acetyl-3,5-dimethoxyphenyl) 2-methylprop-2-enoate

C14H16O5 — CID 86087560

IUPAC(2-acetyl-3,5-dimethoxyphenyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1cc(OC)cc(OC)c1C(C)=O
InChIInChI=1S/C14H16O5/c1-8(2)14(16)19-12-7-10(17-4)6-11(18-5)13(12)9(3)15/h6-7H,1H2,2-5H3
InChIKeyXKTFGCVBWPHQJT-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.39
Rot. Bonds5

About (2-acetyl-3,5-dimethoxyphenyl) 2-methylprop-2-enoate

(2-acetyl-3,5-dimethoxyphenyl) 2-methylprop-2-enoate (PubChem CID 86087560) has the molecular formula C14H16O5 and a molecular weight of 264.28 g/mol. Its IUPAC name is (2-acetyl-3,5-dimethoxyphenyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2-acetyl-3,5-dimethoxyphenyl) 2-methylprop-2-enoate
PubChem CID86087560
Molecular FormulaC14H16O5
Molecular Weight264.28 g/mol
Exact Mass264.10
IUPAC Name(2-acetyl-3,5-dimethoxyphenyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1cc(OC)cc(OC)c1C(C)=O
InChIInChI=1S/C14H16O5/c1-8(2)14(16)19-12-7-10(17-4)6-11(18-5)13(12)9(3)15/h6-7H,1H2,2-5H3
InChIKeyXKTFGCVBWPHQJT-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

1-(2,4-dimethoxy-6-sulfanylphenyl)ethanone
CID 86747405
(2-acetyl-3,5-dimethoxyphenyl) naphthalene-2-carboxylate
CID 101020837
1-(4-fluoro-2,6-dimethoxyphenyl)ethanone
CID 117287701
[4-[2-methoxy-4-(4-methoxyphenyl)-5-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate
CID 144772021
[4-[4-methoxy-3-(2-methylprop-2-enoyloxy)phenyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
CID 138462468
(2,4,6-trimethoxyphenyl) acetate
CID 68597137
1-(4-tert-butyl-2,6-dimethoxyphenyl)ethanone
CID 67914983
[4-[2-iodo-4-(2-methylprop-2-enoyloxy)phenyl]-3-methoxyphenyl] 2-methylprop-2-enoate
CID 170185899
(2,4-dihydroxy-3-iodo-5-methoxyphenyl) 2-methylprop-2-enoate
CID 163887964
2-(2,4-dimethoxy-6-methylphenyl)prop-2-enoic acid
CID 116843073
(3-formyl-4-methoxyphenyl) 2-methylprop-2-enoate
CID 22153350
2-oxo-2-(2,4,6-trimethoxyphenyl)acetaldehyde
CID 7578619

Frequently Asked Questions

What is the IUPAC name of (2-acetyl-3,5-dimethoxyphenyl) 2-methylprop-2-enoate?
The IUPAC name of (2-acetyl-3,5-dimethoxyphenyl) 2-methylprop-2-enoate (CID 86087560) is (2-acetyl-3,5-dimethoxyphenyl) 2-methylprop-2-enoate.
What is the SMILES notation for (2-acetyl-3,5-dimethoxyphenyl) 2-methylprop-2-enoate?
The canonical SMILES for (2-acetyl-3,5-dimethoxyphenyl) 2-methylprop-2-enoate is C=C(C)C(=O)Oc1cc(OC)cc(OC)c1C(C)=O.
What is the InChIKey of (2-acetyl-3,5-dimethoxyphenyl) 2-methylprop-2-enoate?
The InChIKey is XKTFGCVBWPHQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O5/c1-8(2)14(16)19-12-7-10(17-4)6-11(18-5)13(12)9(3)15/h6-7H,1H2,2-5H3.
What are the key properties of (2-acetyl-3,5-dimethoxyphenyl) 2-methylprop-2-enoate?
(2-acetyl-3,5-dimethoxyphenyl) 2-methylprop-2-enoate has a molecular weight of 264.28 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetyl-3,5-dimethoxyphenyl) 2-methylprop-2-enoate is sourced from PubChem (CID 86087560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).