3-(2-ethyl-6-methylphenyl)propanoic acid

C12H16O2 — CID 82158159

IUPAC3-(2-ethyl-6-methylphenyl)propanoic acid
SMILESCCc1cccc(C)c1CCC(=O)O
InChIInChI=1S/C12H16O2/c1-3-10-6-4-5-9(2)11(10)7-8-12(13)14/h4-6H,3,7-8H2,1-2H3,(H,13,14)
InChIKeyKUIIFQGAWWEKPY-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.57
Rot. Bonds4

About 3-(2-ethyl-6-methylphenyl)propanoic acid

3-(2-ethyl-6-methylphenyl)propanoic acid (PubChem CID 82158159) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-(2-ethyl-6-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(2-ethyl-6-methylphenyl)propanoic acid
PubChem CID82158159
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name3-(2-ethyl-6-methylphenyl)propanoic acid
SMILESCCc1cccc(C)c1CCC(=O)O
InChIInChI=1S/C12H16O2/c1-3-10-6-4-5-9(2)11(10)7-8-12(13)14/h4-6H,3,7-8H2,1-2H3,(H,13,14)
InChIKeyKUIIFQGAWWEKPY-UHFFFAOYSA-N
XLogP2.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-chloro-6-methylphenyl)propanoic acid
CID 84733648
(2-ethyl-6-methylphenyl)methylphosphanium bromide
CID 68944646
(2-ethyl-6-methylphenyl)methanol
CID 52987948
2-[2-(3-ethoxy-3-oxopropyl)-6-methylphenyl]acetic acid
CID 134614862
(2-ethyl-6-methylphenyl)methylphosphane
CID 68944647
3-[2-(2-carboxyethyl)-3-phosphanylphenyl]propanoic acid
CID 22492834
4-(2-fluoro-3-methylphenyl)butanoic acid
CID 83698983
4-(2-amino-6-methylphenyl)butanoic acid
CID 83853038
3-(2-ethyl-3-methoxyphenyl)propanoic acid
CID 117297447
3-[2-[carboxy(hydroxy)methyl]-3-methylphenyl]propanoic acid
CID 118836363
3-(2-ethyl-4-formyl-6-methylphenyl)propanoic acid
CID 57437406
2-(2-ethyl-6-methylphenyl)ethanethioamide
CID 149269494

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-6-methylphenyl)propanoic acid?
The IUPAC name of 3-(2-ethyl-6-methylphenyl)propanoic acid (CID 82158159) is 3-(2-ethyl-6-methylphenyl)propanoic acid.
What is the SMILES notation for 3-(2-ethyl-6-methylphenyl)propanoic acid?
The canonical SMILES for 3-(2-ethyl-6-methylphenyl)propanoic acid is CCc1cccc(C)c1CCC(=O)O.
What is the InChIKey of 3-(2-ethyl-6-methylphenyl)propanoic acid?
The InChIKey is KUIIFQGAWWEKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-3-10-6-4-5-9(2)11(10)7-8-12(13)14/h4-6H,3,7-8H2,1-2H3,(H,13,14).
What are the key properties of 3-(2-ethyl-6-methylphenyl)propanoic acid?
3-(2-ethyl-6-methylphenyl)propanoic acid has a molecular weight of 192.26 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-6-methylphenyl)propanoic acid is sourced from PubChem (CID 82158159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).