2-(4-ethylphenyl)-2-propan-2-yloxypropanoic acid

C14H20O3 — CID 114992341

IUPAC2-(4-ethylphenyl)-2-propan-2-yloxypropanoic acid
SMILESCCc1ccc(C(C)(OC(C)C)C(=O)O)cc1
InChIInChI=1S/C14H20O3/c1-5-11-6-8-12(9-7-11)14(4,13(15)16)17-10(2)3/h6-10H,5H2,1-4H3,(H,15,16)
InChIKeyWLXOPOJLIASWQV-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.97
Rot. Bonds5

About 2-(4-ethylphenyl)-2-propan-2-yloxypropanoic acid

2-(4-ethylphenyl)-2-propan-2-yloxypropanoic acid (PubChem CID 114992341) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-2-propan-2-yloxypropanoic acid.

Molecular Properties

Compound Name2-(4-ethylphenyl)-2-propan-2-yloxypropanoic acid
PubChem CID114992341
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-(4-ethylphenyl)-2-propan-2-yloxypropanoic acid
SMILESCCc1ccc(C(C)(OC(C)C)C(=O)O)cc1
InChIInChI=1S/C14H20O3/c1-5-11-6-8-12(9-7-11)14(4,13(15)16)17-10(2)3/h6-10H,5H2,1-4H3,(H,15,16)
InChIKeyWLXOPOJLIASWQV-UHFFFAOYSA-N
XLogP2.97
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-propan-2-yloxy-2-pyridin-4-ylpropanoic acid
CID 82238702
2-(4-ethylphenyl)-2-[formyl(propan-2-yl)amino]propanoic acid
CID 63705343
2-(2-hydroxyphenyl)-2-propan-2-yloxypropanoic acid
CID 84725487
2-[acetyl(ethyl)amino]-2-(4-ethylphenyl)propanoic acid
CID 63703764
2-(4-ethylphenyl)-2-(propan-2-ylamino)butanoic acid
CID 43754189
1-tert-butyl-4-ethylbenzene
CID 157359507
propan-2-yl 4-ethylbenzoate
CID 583760
1-ethyl-4-(3-methylpentan-3-yl)benzene
CID 154560765
2-(4-ethylphenyl)-2-(2-methoxyethylamino)propanoic acid
CID 55070744
1-ethyl-4-(2-hydroperoxypropan-2-yl)benzene
CID 22506294
(2S)-2-amino-N-[2-(4-ethylphenyl)propan-2-yl]propanamide
CID 119337733
2-[acetyl(methyl)amino]-2-(4-ethylphenyl)butanoic acid
CID 55233997

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-2-propan-2-yloxypropanoic acid?
The IUPAC name of 2-(4-ethylphenyl)-2-propan-2-yloxypropanoic acid (CID 114992341) is 2-(4-ethylphenyl)-2-propan-2-yloxypropanoic acid.
What is the SMILES notation for 2-(4-ethylphenyl)-2-propan-2-yloxypropanoic acid?
The canonical SMILES for 2-(4-ethylphenyl)-2-propan-2-yloxypropanoic acid is CCc1ccc(C(C)(OC(C)C)C(=O)O)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-2-propan-2-yloxypropanoic acid?
The InChIKey is WLXOPOJLIASWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-5-11-6-8-12(9-7-11)14(4,13(15)16)17-10(2)3/h6-10H,5H2,1-4H3,(H,15,16).
What are the key properties of 2-(4-ethylphenyl)-2-propan-2-yloxypropanoic acid?
2-(4-ethylphenyl)-2-propan-2-yloxypropanoic acid has a molecular weight of 236.31 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-2-propan-2-yloxypropanoic acid is sourced from PubChem (CID 114992341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).