2-methyl-2-(5-methyl-2-prop-1-en-2-ylphenoxy)propanoic acid

C14H18O3 — CID 71361745

IUPAC2-methyl-2-(5-methyl-2-prop-1-en-2-ylphenoxy)propanoic acid
SMILESC=C(C)c1ccc(C)cc1OC(C)(C)C(=O)O
InChIInChI=1S/C14H18O3/c1-9(2)11-7-6-10(3)8-12(11)17-14(4,5)13(15)16/h6-8H,1H2,2-5H3,(H,15,16)
InChIKeyDOJXAYGEZXJHIB-UHFFFAOYSA-N
MW234.29 g/mol
LogP3.27
Rot. Bonds4

About 2-methyl-2-(5-methyl-2-prop-1-en-2-ylphenoxy)propanoic acid

2-methyl-2-(5-methyl-2-prop-1-en-2-ylphenoxy)propanoic acid (PubChem CID 71361745) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 2-methyl-2-(5-methyl-2-prop-1-en-2-ylphenoxy)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(5-methyl-2-prop-1-en-2-ylphenoxy)propanoic acid
PubChem CID71361745
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name2-methyl-2-(5-methyl-2-prop-1-en-2-ylphenoxy)propanoic acid
SMILESC=C(C)c1ccc(C)cc1OC(C)(C)C(=O)O
InChIInChI=1S/C14H18O3/c1-9(2)11-7-6-10(3)8-12(11)17-14(4,5)13(15)16/h6-8H,1H2,2-5H3,(H,15,16)
InChIKeyDOJXAYGEZXJHIB-UHFFFAOYSA-N
XLogP3.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-amino-5-methylphenoxy)-2-methylpropanoic acid
CID 125425539
tert-butyl 1-(5-methyl-2-prop-1-en-2-ylphenoxy)cyclopropane-1-carboxylate
CID 156781895
2-(2-methoxy-4-methylphenoxy)-2-methylpropanoyl chloride
CID 82117779
1-[4-methyl-2-(2-methylbut-3-yn-2-yloxy)phenyl]ethanone
CID 118066869
2-(2-methoxy-4-methylphenoxy)-2-methylbutanoic acid
CID 114990557
4-methyl-2-prop-2-enoxybenzoic acid
CID 23510388
1-[2-(4,4-dimethylpent-2-ynoxy)-4-methylphenyl]ethanone
CID 114189947
3-(2-methoxy-4-methylphenoxy)-2,2-dimethylpropanoic acid
CID 79016754
2-(3,3-dimethylbutoxy)-4-methylbenzoic acid
CID 61379519
ethane;5-methyl-2-prop-1-en-2-ylaniline
CID 142496238
N-(5-methyl-2-prop-1-en-2-ylphenyl)benzamide
CID 154709927
1-[4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanone
CID 112687479

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(5-methyl-2-prop-1-en-2-ylphenoxy)propanoic acid?
The IUPAC name of 2-methyl-2-(5-methyl-2-prop-1-en-2-ylphenoxy)propanoic acid (CID 71361745) is 2-methyl-2-(5-methyl-2-prop-1-en-2-ylphenoxy)propanoic acid.
What is the SMILES notation for 2-methyl-2-(5-methyl-2-prop-1-en-2-ylphenoxy)propanoic acid?
The canonical SMILES for 2-methyl-2-(5-methyl-2-prop-1-en-2-ylphenoxy)propanoic acid is C=C(C)c1ccc(C)cc1OC(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-(5-methyl-2-prop-1-en-2-ylphenoxy)propanoic acid?
The InChIKey is DOJXAYGEZXJHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-9(2)11-7-6-10(3)8-12(11)17-14(4,5)13(15)16/h6-8H,1H2,2-5H3,(H,15,16).
What are the key properties of 2-methyl-2-(5-methyl-2-prop-1-en-2-ylphenoxy)propanoic acid?
2-methyl-2-(5-methyl-2-prop-1-en-2-ylphenoxy)propanoic acid has a molecular weight of 234.29 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(5-methyl-2-prop-1-en-2-ylphenoxy)propanoic acid is sourced from PubChem (CID 71361745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).