(3-formyl-4-methoxyphenyl) 2-methylprop-2-enoate

C12H12O4 — CID 22153350

IUPAC(3-formyl-4-methoxyphenyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(OC)c(C=O)c1
InChIInChI=1S/C12H12O4/c1-8(2)12(14)16-10-4-5-11(15-3)9(6-10)7-13/h4-7H,1H2,2-3H3
InChIKeyAIWCHQMYSGPGAT-UHFFFAOYSA-N
MW220.22 g/mol
LogP1.99
Rot. Bonds4

About (3-formyl-4-methoxyphenyl) 2-methylprop-2-enoate

(3-formyl-4-methoxyphenyl) 2-methylprop-2-enoate (PubChem CID 22153350) has the molecular formula C12H12O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is (3-formyl-4-methoxyphenyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(3-formyl-4-methoxyphenyl) 2-methylprop-2-enoate
PubChem CID22153350
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Name(3-formyl-4-methoxyphenyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(OC)c(C=O)c1
InChIInChI=1S/C12H12O4/c1-8(2)12(14)16-10-4-5-11(15-3)9(6-10)7-13/h4-7H,1H2,2-3H3
InChIKeyAIWCHQMYSGPGAT-UHFFFAOYSA-N
XLogP1.99
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3-formyl-4-methoxyphenyl) 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-acetyloxy-3-ethenylphenyl) 2-methylprop-2-enoate
CID 118696254
(4-formyl-3-methoxyphenyl) acetate
CID 22633336
[3-acetyl-4-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
CID 169258569
[3-bromo-4-[4-[2-bromo-4-(2-methylprop-2-enoyloxy)phenoxy]butoxy]phenyl] 2-methylprop-2-enoate
CID 20548978
[4-(3,4-dimethoxyphenyl)-3-phosphanylphenyl] 2-methylprop-2-enoate;2-methylprop-2-enal
CID 145389550
[4-[2-iodo-4-(2-methylprop-2-enoyloxy)phenyl]-3-methoxyphenyl] 2-methylprop-2-enoate
CID 170185899
[4-[4-methoxy-3-(2-methylprop-2-enoyloxy)phenyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
CID 138462468
[4-[2-methoxy-4-(4-methoxyphenyl)-5-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate
CID 144772021
[6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate
CID 58069127
[4-[2-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]cyclohexa-1,3-dien-1-yl] 2-methylprop-2-enoate
CID 153034737
[4-[3-fluoro-4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-3-methoxyphenyl] 2-methylprop-2-enoate
CID 168727554
[4-(2-methylprop-2-enoyloxy)-3-propanoylphenyl] 2-methylprop-2-enoate
CID 169258545

Frequently Asked Questions

What is the IUPAC name of (3-formyl-4-methoxyphenyl) 2-methylprop-2-enoate?
The IUPAC name of (3-formyl-4-methoxyphenyl) 2-methylprop-2-enoate (CID 22153350) is (3-formyl-4-methoxyphenyl) 2-methylprop-2-enoate.
What is the SMILES notation for (3-formyl-4-methoxyphenyl) 2-methylprop-2-enoate?
The canonical SMILES for (3-formyl-4-methoxyphenyl) 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(OC)c(C=O)c1.
What is the InChIKey of (3-formyl-4-methoxyphenyl) 2-methylprop-2-enoate?
The InChIKey is AIWCHQMYSGPGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O4/c1-8(2)12(14)16-10-4-5-11(15-3)9(6-10)7-13/h4-7H,1H2,2-3H3.
What are the key properties of (3-formyl-4-methoxyphenyl) 2-methylprop-2-enoate?
(3-formyl-4-methoxyphenyl) 2-methylprop-2-enoate has a molecular weight of 220.22 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-formyl-4-methoxyphenyl) 2-methylprop-2-enoate is sourced from PubChem (CID 22153350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).