2-(2,4-dimethoxy-6-methylphenyl)prop-2-enoic acid

C12H14O4 — CID 116843073

IUPAC2-(2,4-dimethoxy-6-methylphenyl)prop-2-enoic acid
SMILESC=C(C(=O)O)c1c(C)cc(OC)cc1OC
InChIInChI=1S/C12H14O4/c1-7-5-9(15-3)6-10(16-4)11(7)8(2)12(13)14/h5-6H,2H2,1,3-4H3,(H,13,14)
InChIKeyRVHKVZFLDILGBN-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.11
Rot. Bonds4

About 2-(2,4-dimethoxy-6-methylphenyl)prop-2-enoic acid

2-(2,4-dimethoxy-6-methylphenyl)prop-2-enoic acid (PubChem CID 116843073) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-(2,4-dimethoxy-6-methylphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name2-(2,4-dimethoxy-6-methylphenyl)prop-2-enoic acid
PubChem CID116843073
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name2-(2,4-dimethoxy-6-methylphenyl)prop-2-enoic acid
SMILESC=C(C(=O)O)c1c(C)cc(OC)cc1OC
InChIInChI=1S/C12H14O4/c1-7-5-9(15-3)6-10(16-4)11(7)8(2)12(13)14/h5-6H,2H2,1,3-4H3,(H,13,14)
InChIKeyRVHKVZFLDILGBN-UHFFFAOYSA-N
XLogP2.11
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(2,4-dimethoxy-6-methylphenyl)methanone
CID 54389353
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)prop-2-enoic acid
CID 82292853
2-(2-methoxy-4,5-dimethylphenyl)prop-2-enoic acid
CID 82283268
2-(2,4-dimethoxy-6-methylanilino)-2-oxoacetic acid
CID 115141187
4-methoxy-2,6-dimethylbenzoyl chloride
CID 12624144
4-(2,4-dimethoxy-6-methylphenyl)-4-oxobutanenitrile
CID 116862133
4-amino-1-(2,4-dimethoxy-6-methylphenyl)-2,2-dimethylbutan-1-one
CID 116916392
1-(2,4-dimethoxy-6-sulfanylphenyl)ethanone
CID 86747405
2,4,6-trimethoxy-N-methyl-N-oxidobenzamide
CID 163503558
(2-acetyl-3,5-dimethoxyphenyl) 2-methylprop-2-enoate
CID 86087560
N-(2,4-dimethoxy-6-methylphenyl)-N-methylcarbamoyl chloride
CID 115194561
1-(2,4-dimethoxy-6-methylphenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 71963848

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxy-6-methylphenyl)prop-2-enoic acid?
The IUPAC name of 2-(2,4-dimethoxy-6-methylphenyl)prop-2-enoic acid (CID 116843073) is 2-(2,4-dimethoxy-6-methylphenyl)prop-2-enoic acid.
What is the SMILES notation for 2-(2,4-dimethoxy-6-methylphenyl)prop-2-enoic acid?
The canonical SMILES for 2-(2,4-dimethoxy-6-methylphenyl)prop-2-enoic acid is C=C(C(=O)O)c1c(C)cc(OC)cc1OC.
What is the InChIKey of 2-(2,4-dimethoxy-6-methylphenyl)prop-2-enoic acid?
The InChIKey is RVHKVZFLDILGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-7-5-9(15-3)6-10(16-4)11(7)8(2)12(13)14/h5-6H,2H2,1,3-4H3,(H,13,14).
What are the key properties of 2-(2,4-dimethoxy-6-methylphenyl)prop-2-enoic acid?
2-(2,4-dimethoxy-6-methylphenyl)prop-2-enoic acid has a molecular weight of 222.24 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxy-6-methylphenyl)prop-2-enoic acid is sourced from PubChem (CID 116843073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).