3-(2,3-dimethyl-5-propan-2-ylphenyl)propanoic acid

C14H20O2 — CID 117314538

IUPAC3-(2,3-dimethyl-5-propan-2-ylphenyl)propanoic acid
SMILESCc1cc(C(C)C)cc(CCC(=O)O)c1C
InChIInChI=1S/C14H20O2/c1-9(2)13-7-10(3)11(4)12(8-13)5-6-14(15)16/h7-9H,5-6H2,1-4H3,(H,15,16)
InChIKeyVYUCVIGNVFOIEO-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.44
Rot. Bonds4

About 3-(2,3-dimethyl-5-propan-2-ylphenyl)propanoic acid

3-(2,3-dimethyl-5-propan-2-ylphenyl)propanoic acid (PubChem CID 117314538) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 3-(2,3-dimethyl-5-propan-2-ylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(2,3-dimethyl-5-propan-2-ylphenyl)propanoic acid
PubChem CID117314538
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name3-(2,3-dimethyl-5-propan-2-ylphenyl)propanoic acid
SMILESCc1cc(C(C)C)cc(CCC(=O)O)c1C
InChIInChI=1S/C14H20O2/c1-9(2)13-7-10(3)11(4)12(8-13)5-6-14(15)16/h7-9H,5-6H2,1-4H3,(H,15,16)
InChIKeyVYUCVIGNVFOIEO-UHFFFAOYSA-N
XLogP3.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dimethyl-5-propan-2-ylphenyl)propan-2-one
CID 117292880
3-(2-carboxyethyl)-4,5-dimethylbenzoic acid
CID 117317911
2-(2,3-dimethyl-5-propan-2-ylphenyl)-N-methylethanamine
CID 117294246
3-(4-bromo-2-methylphenyl)propanoic acid
CID 69202839
4-(2-hydroxy-5-propan-2-ylphenyl)butanoic acid
CID 83890595
1,3-diethyl-2-methyl-5-propan-2-ylbenzene
CID 153439448
4-(3-bromo-2-fluoro-5-propan-2-ylphenyl)butanoic acid
CID 117488099
3-(2,4-dimethylphenyl)propanoic acid
CID 3870217
3-(5-bromo-3-chloro-2-methylphenyl)propanoic acid
CID 84714681
3-[2-(carboxymethyl)-4-(difluoromethyl)phenyl]propanoic acid
CID 118808140
3-(6-oxo-3-propan-2-yl-1H-pyridazin-5-yl)propanoic acid
CID 82443108
3-(4-bromo-3-methoxy-2,5-dimethylphenyl)propanoic acid
CID 84814001

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethyl-5-propan-2-ylphenyl)propanoic acid?
The IUPAC name of 3-(2,3-dimethyl-5-propan-2-ylphenyl)propanoic acid (CID 117314538) is 3-(2,3-dimethyl-5-propan-2-ylphenyl)propanoic acid.
What is the SMILES notation for 3-(2,3-dimethyl-5-propan-2-ylphenyl)propanoic acid?
The canonical SMILES for 3-(2,3-dimethyl-5-propan-2-ylphenyl)propanoic acid is Cc1cc(C(C)C)cc(CCC(=O)O)c1C.
What is the InChIKey of 3-(2,3-dimethyl-5-propan-2-ylphenyl)propanoic acid?
The InChIKey is VYUCVIGNVFOIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-9(2)13-7-10(3)11(4)12(8-13)5-6-14(15)16/h7-9H,5-6H2,1-4H3,(H,15,16).
What are the key properties of 3-(2,3-dimethyl-5-propan-2-ylphenyl)propanoic acid?
3-(2,3-dimethyl-5-propan-2-ylphenyl)propanoic acid has a molecular weight of 220.31 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethyl-5-propan-2-ylphenyl)propanoic acid is sourced from PubChem (CID 117314538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).