(2-formyl-6-methylphenyl) prop-2-enoate

C11H10O3 — CID 89358403

IUPAC(2-formyl-6-methylphenyl) prop-2-enoate
SMILESC=CC(=O)Oc1c(C)cccc1C=O
InChIInChI=1S/C11H10O3/c1-3-10(13)14-11-8(2)5-4-6-9(11)7-12/h3-7H,1H2,2H3
InChIKeyQEHDPWPFAVTDCT-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.90
Rot. Bonds3

About (2-formyl-6-methylphenyl) prop-2-enoate

(2-formyl-6-methylphenyl) prop-2-enoate (PubChem CID 89358403) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is (2-formyl-6-methylphenyl) prop-2-enoate.

Molecular Properties

Compound Name(2-formyl-6-methylphenyl) prop-2-enoate
PubChem CID89358403
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name(2-formyl-6-methylphenyl) prop-2-enoate
SMILESC=CC(=O)Oc1c(C)cccc1C=O
InChIInChI=1S/C11H10O3/c1-3-10(13)14-11-8(2)5-4-6-9(11)7-12/h3-7H,1H2,2H3
InChIKeyQEHDPWPFAVTDCT-UHFFFAOYSA-N
XLogP1.90
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (2-formyl-6-methylphenyl) prop-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

(2-methyl-6-propylphenyl) prop-2-enoate
CID 141217583
(2-cyclopenta-2,4-dien-1-yl-6-methylphenyl) prop-2-enoate
CID 164546423
(6-methyl-2,3-diphenylphenyl) prop-2-enoate
CID 174611973
(2,6-dibromophenyl) prop-2-enoate
CID 91415970
ethyl 2-(2-formyl-6-methylphenoxy)acetate
CID 57137176
[3-[(2,4-dimethyl-3-prop-2-enoyloxyphenyl)methyl]-2,6-dimethylphenyl] prop-2-enoate
CID 141237345
[4-[[4-[bis(3,5-dimethyl-4-prop-2-enoyloxyphenyl)methyl]phenyl]-(3,5-dimethyl-4-prop-2-enoyloxyphenyl)methyl]-2,6-dimethylphenyl] prop-2-enoate
CID 163521211
2-(2-formyl-6-methylphenoxy)butanoic acid
CID 112611069
[3-(2-phenylethenyl)-2-prop-2-enoyloxyphenyl] prop-2-enoate
CID 174679512
(2,6-dimethylphenyl) 2-methylprop-2-enoate;prop-2-enamide
CID 162138067
(4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate
CID 70427728
2-(2-formyl-6-methylphenoxy)-N-propan-2-ylpropanamide
CID 112611177

Frequently Asked Questions

What is the IUPAC name of (2-formyl-6-methylphenyl) prop-2-enoate?
The IUPAC name of (2-formyl-6-methylphenyl) prop-2-enoate (CID 89358403) is (2-formyl-6-methylphenyl) prop-2-enoate.
What is the SMILES notation for (2-formyl-6-methylphenyl) prop-2-enoate?
The canonical SMILES for (2-formyl-6-methylphenyl) prop-2-enoate is C=CC(=O)Oc1c(C)cccc1C=O.
What is the InChIKey of (2-formyl-6-methylphenyl) prop-2-enoate?
The InChIKey is QEHDPWPFAVTDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-3-10(13)14-11-8(2)5-4-6-9(11)7-12/h3-7H,1H2,2H3.
What are the key properties of (2-formyl-6-methylphenyl) prop-2-enoate?
(2-formyl-6-methylphenyl) prop-2-enoate has a molecular weight of 190.20 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-formyl-6-methylphenyl) prop-2-enoate is sourced from PubChem (CID 89358403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).