3-(4-ethyl-3,5-dimethylphenyl)propanoic acid;yttrium

C13H18O2Y — CID 59858101

IUPAC3-(4-ethyl-3,5-dimethylphenyl)propanoic acid;yttrium
SMILESCCc1c(C)cc(CCC(=O)O)cc1C.[Y]
InChIInChI=1S/C13H18O2.Y/c1-4-12-9(2)7-11(8-10(12)3)5-6-13(14)15;/h7-8H,4-6H2,1-3H3,(H,14,15);
InChIKeyFSSCEHXGGHUERT-UHFFFAOYSA-N
MW295.19 g/mol
LogP2.88
Rot. Bonds4

About 3-(4-ethyl-3,5-dimethylphenyl)propanoic acid;yttrium

3-(4-ethyl-3,5-dimethylphenyl)propanoic acid;yttrium (PubChem CID 59858101) has the molecular formula C13H18O2Y and a molecular weight of 295.19 g/mol. Its IUPAC name is 3-(4-ethyl-3,5-dimethylphenyl)propanoic acid;yttrium.

Molecular Properties

Compound Name3-(4-ethyl-3,5-dimethylphenyl)propanoic acid;yttrium
PubChem CID59858101
Molecular FormulaC13H18O2Y
Molecular Weight295.19 g/mol
Exact Mass295.04
IUPAC Name3-(4-ethyl-3,5-dimethylphenyl)propanoic acid;yttrium
SMILESCCc1c(C)cc(CCC(=O)O)cc1C.[Y]
InChIInChI=1S/C13H18O2.Y/c1-4-12-9(2)7-11(8-10(12)3)5-6-13(14)15;/h7-8H,4-6H2,1-3H3,(H,14,15);
InChIKeyFSSCEHXGGHUERT-UHFFFAOYSA-N
XLogP2.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.19
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;3-(4-hydroxy-3,5-dimethylphenyl)propanoic acid
CID 144504832
3-(4-bromo-3,5-dimethylphenyl)propanoic acid
CID 84805494
3-[4-(hydroxymethyl)-2,6-dimethylphenyl]propanoic acid
CID 57437403
3-(3,5-dipropylphenyl)propanoic acid
CID 58963924
3-(3-fluoro-4,5-dimethylphenyl)propanoic acid
CID 84773946
N,N-dimethyl-3-(3,4,5-trimethylphenyl)propanamide;3-(3,4,5-trimethylphenyl)propanoic acid
CID 161469561
3-(3-bromo-4-fluoro-5-methylphenyl)propanoic acid
CID 84710392
3-(4-hydroxy-3-methoxy-5-methylphenyl)propanoic acid
CID 117300165
3-(2-ethyl-4-formyl-6-methylphenyl)propanoic acid
CID 57437406
3-(6-ethylnaphthalen-2-yl)propanoic acid
CID 144687708
3-[4-[[2-(2,4,6-trimethylphenyl)acetyl]amino]phenyl]propanoic acid
CID 120528339
3-(3-amino-4-methylphenyl)propanoic acid
CID 46948732

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-3,5-dimethylphenyl)propanoic acid;yttrium?
The IUPAC name of 3-(4-ethyl-3,5-dimethylphenyl)propanoic acid;yttrium (CID 59858101) is 3-(4-ethyl-3,5-dimethylphenyl)propanoic acid;yttrium.
What is the SMILES notation for 3-(4-ethyl-3,5-dimethylphenyl)propanoic acid;yttrium?
The canonical SMILES for 3-(4-ethyl-3,5-dimethylphenyl)propanoic acid;yttrium is CCc1c(C)cc(CCC(=O)O)cc1C.[Y].
What is the InChIKey of 3-(4-ethyl-3,5-dimethylphenyl)propanoic acid;yttrium?
The InChIKey is FSSCEHXGGHUERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2.Y/c1-4-12-9(2)7-11(8-10(12)3)5-6-13(14)15;/h7-8H,4-6H2,1-3H3,(H,14,15);.
What are the key properties of 3-(4-ethyl-3,5-dimethylphenyl)propanoic acid;yttrium?
3-(4-ethyl-3,5-dimethylphenyl)propanoic acid;yttrium has a molecular weight of 295.19 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-3,5-dimethylphenyl)propanoic acid;yttrium is sourced from PubChem (CID 59858101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).