3-methoxy-2-methyl-3-phenylprop-2-enoic acid

C11H12O3 — CID 57324055

IUPAC3-methoxy-2-methyl-3-phenylprop-2-enoic acid
SMILESCOC(=C(C)C(=O)O)c1ccccc1
InChIInChI=1S/C11H12O3/c1-8(11(12)13)10(14-2)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,12,13)
InChIKeyWNHXMDCUQXKDLV-UHFFFAOYSA-N
MW192.21 g/mol
LogP2.15
Rot. Bonds3

About 3-methoxy-2-methyl-3-phenylprop-2-enoic acid

3-methoxy-2-methyl-3-phenylprop-2-enoic acid (PubChem CID 57324055) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 3-methoxy-2-methyl-3-phenylprop-2-enoic acid.

Molecular Properties

Compound Name3-methoxy-2-methyl-3-phenylprop-2-enoic acid
PubChem CID57324055
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name3-methoxy-2-methyl-3-phenylprop-2-enoic acid
SMILESCOC(=C(C)C(=O)O)c1ccccc1
InChIInChI=1S/C11H12O3/c1-8(11(12)13)10(14-2)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,12,13)
InChIKeyWNHXMDCUQXKDLV-UHFFFAOYSA-N
XLogP2.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-methoxy-2-methyl-1,3-diphenylprop-2-en-1-one
CID 101099005
3-methoxy-2,3-diphenylprop-2-enoic acid
CID 69030930
3-methoxy-2,3-diphenylprop-2-enal
CID 76537180
(Z)-2-iodo-3-methoxy-1,3-diphenylprop-2-en-1-one
CID 102130770
(Z)-2-methyl-3-phenylbut-2-enedioic acid
CID 66610285
benzene;tetrakis(diphenylmethanone);ethane;methoxymethane;tris(propan-2-one)
CID 160674424
acetic acid;N-methoxyaniline
CID 174899473
2-methyl-3-phenylbut-2-enedioic acid
CID 54439323
4-(1,2-dimethoxy-2-phenylethenyl)phenol
CID 91321560
(Z)-3-acetamido-2-methyl-3-phenylprop-2-enoic acid
CID 14280418
acetic acid;1-phenylethanone
CID 159392478
methyl benzoate;hydrate
CID 141218240

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-3-phenylprop-2-enoic acid?
The IUPAC name of 3-methoxy-2-methyl-3-phenylprop-2-enoic acid (CID 57324055) is 3-methoxy-2-methyl-3-phenylprop-2-enoic acid.
What is the SMILES notation for 3-methoxy-2-methyl-3-phenylprop-2-enoic acid?
The canonical SMILES for 3-methoxy-2-methyl-3-phenylprop-2-enoic acid is COC(=C(C)C(=O)O)c1ccccc1.
What is the InChIKey of 3-methoxy-2-methyl-3-phenylprop-2-enoic acid?
The InChIKey is WNHXMDCUQXKDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-8(11(12)13)10(14-2)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,12,13).
What are the key properties of 3-methoxy-2-methyl-3-phenylprop-2-enoic acid?
3-methoxy-2-methyl-3-phenylprop-2-enoic acid has a molecular weight of 192.21 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-3-phenylprop-2-enoic acid is sourced from PubChem (CID 57324055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).