2-(5-ethyl-2-propan-2-ylphenoxy)acetic acid

C13H18O3 — CID 143022622

IUPAC2-(5-ethyl-2-propan-2-ylphenoxy)acetic acid
SMILESCCc1ccc(C(C)C)c(OCC(=O)O)c1
InChIInChI=1S/C13H18O3/c1-4-10-5-6-11(9(2)3)12(7-10)16-8-13(14)15/h5-7,9H,4,8H2,1-3H3,(H,14,15)
InChIKeyVTEGSHAPTNOXEN-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.84
Rot. Bonds5

About 2-(5-ethyl-2-propan-2-ylphenoxy)acetic acid

2-(5-ethyl-2-propan-2-ylphenoxy)acetic acid (PubChem CID 143022622) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-(5-ethyl-2-propan-2-ylphenoxy)acetic acid.

Molecular Properties

Compound Name2-(5-ethyl-2-propan-2-ylphenoxy)acetic acid
PubChem CID143022622
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name2-(5-ethyl-2-propan-2-ylphenoxy)acetic acid
SMILESCCc1ccc(C(C)C)c(OCC(=O)O)c1
InChIInChI=1S/C13H18O3/c1-4-10-5-6-11(9(2)3)12(7-10)16-8-13(14)15/h5-7,9H,4,8H2,1-3H3,(H,14,15)
InChIKeyVTEGSHAPTNOXEN-UHFFFAOYSA-N
XLogP2.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-ethyl-2-fluorophenoxy)acetic acid
CID 89304520
2-(5-ethyl-2-propan-2-ylphenoxy)-N,N-dimethylethanamine
CID 166537892
1-(5-ethyl-2-propan-2-ylphenyl)ethanone
CID 117281997
2-[2-ethyl-4-(hydroxymethyl)phenoxy]acetic acid
CID 18448337
4-(5-ethyl-2-propan-2-ylphenyl)butanoic acid
CID 117340908
2-[2-(carboxymethoxy)-4-propan-2-ylphenoxy]acetic acid
CID 20697686
N-[(4-ethylphenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 5189524
2-(5-methyl-2-propan-2-ylphenoxy)acetic acid;4-octoxybenzoic acid
CID 70198892
2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 681895
2-(4-cyano-2-propan-2-ylphenoxy)acetic acid
CID 126600902
1-(3-methoxy-4-propan-2-ylphenyl)butan-2-one
CID 10513136
(2S)-2-(4-ethyl-2-methoxyphenoxy)propanoic acid
CID 107663541

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-propan-2-ylphenoxy)acetic acid?
The IUPAC name of 2-(5-ethyl-2-propan-2-ylphenoxy)acetic acid (CID 143022622) is 2-(5-ethyl-2-propan-2-ylphenoxy)acetic acid.
What is the SMILES notation for 2-(5-ethyl-2-propan-2-ylphenoxy)acetic acid?
The canonical SMILES for 2-(5-ethyl-2-propan-2-ylphenoxy)acetic acid is CCc1ccc(C(C)C)c(OCC(=O)O)c1.
What is the InChIKey of 2-(5-ethyl-2-propan-2-ylphenoxy)acetic acid?
The InChIKey is VTEGSHAPTNOXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-4-10-5-6-11(9(2)3)12(7-10)16-8-13(14)15/h5-7,9H,4,8H2,1-3H3,(H,14,15).
What are the key properties of 2-(5-ethyl-2-propan-2-ylphenoxy)acetic acid?
2-(5-ethyl-2-propan-2-ylphenoxy)acetic acid has a molecular weight of 222.28 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-propan-2-ylphenoxy)acetic acid is sourced from PubChem (CID 143022622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).