2-(2-methoxy-4,5-dimethylphenyl)prop-2-enoic acid

C12H14O3 — CID 82283268

IUPAC2-(2-methoxy-4,5-dimethylphenyl)prop-2-enoic acid
SMILESC=C(C(=O)O)c1cc(C)c(C)cc1OC
InChIInChI=1S/C12H14O3/c1-7-5-10(9(3)12(13)14)11(15-4)6-8(7)2/h5-6H,3H2,1-2,4H3,(H,13,14)
InChIKeyFTRWHJFVPGUAPQ-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.41
Rot. Bonds3

About 2-(2-methoxy-4,5-dimethylphenyl)prop-2-enoic acid

2-(2-methoxy-4,5-dimethylphenyl)prop-2-enoic acid (PubChem CID 82283268) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-(2-methoxy-4,5-dimethylphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name2-(2-methoxy-4,5-dimethylphenyl)prop-2-enoic acid
PubChem CID82283268
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name2-(2-methoxy-4,5-dimethylphenyl)prop-2-enoic acid
SMILESC=C(C(=O)O)c1cc(C)c(C)cc1OC
InChIInChI=1S/C12H14O3/c1-7-5-10(9(3)12(13)14)11(15-4)6-8(7)2/h5-6H,3H2,1-2,4H3,(H,13,14)
InChIKeyFTRWHJFVPGUAPQ-UHFFFAOYSA-N
XLogP2.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.41
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

2-methoxy-4,5-dimethylbenzoyl bromide
CID 116924546
methyl 2-(4-methoxy-2,5-dimethylphenyl)prop-2-enoate
CID 116843208
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)prop-2-enoic acid
CID 82292853
2-(2,4-dimethoxy-6-methylphenyl)prop-2-enoic acid
CID 116843073
methyl 2-(2-methoxy-4,5-dimethylphenyl)-2-oxoacetate
CID 82114608
ethane;4-methoxy-2,5-dimethylbenzoic acid
CID 145075043
2-(4-fluoro-2-methoxy-5-methylphenyl)-2-oxoacetic acid
CID 117302524
4-(2-methoxy-4,5-dimethylphenyl)-4-oxobutanoic acid
CID 82049173
2-chloro-1-(2-methoxy-4,5-dimethylphenyl)ethanone
CID 82048758
2-hydroxy-1-(2-methoxy-4,5-dimethylphenyl)-2-methylpropan-1-one
CID 116920372
2-methoxy-4,5-dimethylbenzoyl cyanide
CID 116918953
2-bromo-1-(2-methoxy-4,5-dimethylphenyl)propan-1-one
CID 12937025

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4,5-dimethylphenyl)prop-2-enoic acid?
The IUPAC name of 2-(2-methoxy-4,5-dimethylphenyl)prop-2-enoic acid (CID 82283268) is 2-(2-methoxy-4,5-dimethylphenyl)prop-2-enoic acid.
What is the SMILES notation for 2-(2-methoxy-4,5-dimethylphenyl)prop-2-enoic acid?
The canonical SMILES for 2-(2-methoxy-4,5-dimethylphenyl)prop-2-enoic acid is C=C(C(=O)O)c1cc(C)c(C)cc1OC.
What is the InChIKey of 2-(2-methoxy-4,5-dimethylphenyl)prop-2-enoic acid?
The InChIKey is FTRWHJFVPGUAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-7-5-10(9(3)12(13)14)11(15-4)6-8(7)2/h5-6H,3H2,1-2,4H3,(H,13,14).
What are the key properties of 2-(2-methoxy-4,5-dimethylphenyl)prop-2-enoic acid?
2-(2-methoxy-4,5-dimethylphenyl)prop-2-enoic acid has a molecular weight of 206.24 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4,5-dimethylphenyl)prop-2-enoic acid is sourced from PubChem (CID 82283268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).