3-[2-(methoxymethyl)phenyl]-2-methylprop-2-enoic acid

C12H14O3 — CID 79725443

IUPAC3-[2-(methoxymethyl)phenyl]-2-methylprop-2-enoic acid
SMILESCOCc1ccccc1C=C(C)C(=O)O
InChIInChI=1S/C12H14O3/c1-9(12(13)14)7-10-5-3-4-6-11(10)8-15-2/h3-7H,8H2,1-2H3,(H,13,14)
InChIKeyFESFIUGCIGYKHA-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.32
Rot. Bonds4

About 3-[2-(methoxymethyl)phenyl]-2-methylprop-2-enoic acid

3-[2-(methoxymethyl)phenyl]-2-methylprop-2-enoic acid (PubChem CID 79725443) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 3-[2-(methoxymethyl)phenyl]-2-methylprop-2-enoic acid.

Molecular Properties

Compound Name3-[2-(methoxymethyl)phenyl]-2-methylprop-2-enoic acid
PubChem CID79725443
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name3-[2-(methoxymethyl)phenyl]-2-methylprop-2-enoic acid
SMILESCOCc1ccccc1C=C(C)C(=O)O
InChIInChI=1S/C12H14O3/c1-9(12(13)14)7-10-5-3-4-6-11(10)8-15-2/h3-7H,8H2,1-2H3,(H,13,14)
InChIKeyFESFIUGCIGYKHA-UHFFFAOYSA-N
XLogP2.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-ethylphenyl)-2-methylprop-2-enoic acid
CID 19101070
2-methyl-3-(2-prop-2-enylphenyl)prop-2-enoic acid
CID 67283763
3-[2-(methoxymethyl)phenyl]-N,2-dimethylprop-2-en-1-amine
CID 79341607
3-(2-formylphenyl)-2-methylprop-2-enoic acid
CID 54486948
N-tert-butyl-3-[2-(methoxymethyl)phenyl]-2-methylprop-2-en-1-amine
CID 79340745
1-[2-(methoxymethyl)phenyl]propan-2-one
CID 83874886
3-[2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenyl]-2-methylprop-2-enoic acid
CID 56992584
2-[[2-(methoxymethyl)phenyl]methylidene]-3-methyl-N-propan-2-ylbutan-1-amine
CID 79338998
(E)-2-methyl-3-(2-tetradecoxyphenyl)prop-2-enoic acid
CID 12636969
[2-[(E)-2-carboxyprop-1-enyl]phenyl]-methylazanium;ethane
CID 156805282
(E)-3-[2-(4-methoxycarbonylphenyl)phenyl]-2-methylprop-2-enoic acid
CID 170873514
2-[[2-(methoxymethyl)phenyl]methylidene]-N-propylbutan-1-amine
CID 79329088

Frequently Asked Questions

What is the IUPAC name of 3-[2-(methoxymethyl)phenyl]-2-methylprop-2-enoic acid?
The IUPAC name of 3-[2-(methoxymethyl)phenyl]-2-methylprop-2-enoic acid (CID 79725443) is 3-[2-(methoxymethyl)phenyl]-2-methylprop-2-enoic acid.
What is the SMILES notation for 3-[2-(methoxymethyl)phenyl]-2-methylprop-2-enoic acid?
The canonical SMILES for 3-[2-(methoxymethyl)phenyl]-2-methylprop-2-enoic acid is COCc1ccccc1C=C(C)C(=O)O.
What is the InChIKey of 3-[2-(methoxymethyl)phenyl]-2-methylprop-2-enoic acid?
The InChIKey is FESFIUGCIGYKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-9(12(13)14)7-10-5-3-4-6-11(10)8-15-2/h3-7H,8H2,1-2H3,(H,13,14).
What are the key properties of 3-[2-(methoxymethyl)phenyl]-2-methylprop-2-enoic acid?
3-[2-(methoxymethyl)phenyl]-2-methylprop-2-enoic acid has a molecular weight of 206.24 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methoxymethyl)phenyl]-2-methylprop-2-enoic acid is sourced from PubChem (CID 79725443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).