3-cyclopropyl-3-(3,4-dimethylphenyl)-2-methylpropanoic acid

C15H20O2 — CID 123951651

IUPAC3-cyclopropyl-3-(3,4-dimethylphenyl)-2-methylpropanoic acid
SMILESCc1ccc(C(C2CC2)C(C)C(=O)O)cc1C
InChIInChI=1S/C15H20O2/c1-9-4-5-13(8-10(9)2)14(12-6-7-12)11(3)15(16)17/h4-5,8,11-12,14H,6-7H2,1-3H3,(H,16,17)
InChIKeyIVPIZMKSSXUBDQ-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.52
Rot. Bonds4

About 3-cyclopropyl-3-(3,4-dimethylphenyl)-2-methylpropanoic acid

3-cyclopropyl-3-(3,4-dimethylphenyl)-2-methylpropanoic acid (PubChem CID 123951651) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 3-cyclopropyl-3-(3,4-dimethylphenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-(3,4-dimethylphenyl)-2-methylpropanoic acid
PubChem CID123951651
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name3-cyclopropyl-3-(3,4-dimethylphenyl)-2-methylpropanoic acid
SMILESCc1ccc(C(C2CC2)C(C)C(=O)O)cc1C
InChIInChI=1S/C15H20O2/c1-9-4-5-13(8-10(9)2)14(12-6-7-12)11(3)15(16)17/h4-5,8,11-12,14H,6-7H2,1-3H3,(H,16,17)
InChIKeyIVPIZMKSSXUBDQ-UHFFFAOYSA-N
XLogP3.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,3R)-3-(4-acetyl-3-hydroxyphenyl)-3-cyclopropyl-2-methylpropanoic acid
CID 174159976
3-(3,4-dimethylphenyl)-2-methylbutanoic acid
CID 79729840
2-(3,4-dimethylphenyl)-3-methylbutanoic acid
CID 12604022
(1R,5R)-1,5-dicyclopropyl-1,5-bis(3,4-dimethylphenyl)pentan-3-one
CID 97304311
3-cyclopropyl-3-(3,4-dimethylphenyl)propanamide
CID 82079052
(2S,3R)-3-cyclopropyl-3-[3-[(3-iodocyclobutyl)methoxy]phenyl]-2-methylpropanoic acid
CID 118296164
4-[1-(3,4-dimethylphenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65054628
4-[1-(3,4-dimethylphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672658
2-(3,4-dimethylphenyl)-2-methoxyacetic acid
CID 83224323
(3R)-3-(3,4-dimethylphenyl)butanoic acid
CID 42073243
1,5-dicyclopentyl-1,5-bis(3,4-dimethylphenyl)pentan-3-one
CID 73011666
1,5-di(cyclobutyl)-1,5-bis(3,4-dimethylphenyl)pentan-3-one
CID 73011541

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(3,4-dimethylphenyl)-2-methylpropanoic acid?
The IUPAC name of 3-cyclopropyl-3-(3,4-dimethylphenyl)-2-methylpropanoic acid (CID 123951651) is 3-cyclopropyl-3-(3,4-dimethylphenyl)-2-methylpropanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-(3,4-dimethylphenyl)-2-methylpropanoic acid?
The canonical SMILES for 3-cyclopropyl-3-(3,4-dimethylphenyl)-2-methylpropanoic acid is Cc1ccc(C(C2CC2)C(C)C(=O)O)cc1C.
What is the InChIKey of 3-cyclopropyl-3-(3,4-dimethylphenyl)-2-methylpropanoic acid?
The InChIKey is IVPIZMKSSXUBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-9-4-5-13(8-10(9)2)14(12-6-7-12)11(3)15(16)17/h4-5,8,11-12,14H,6-7H2,1-3H3,(H,16,17).
What are the key properties of 3-cyclopropyl-3-(3,4-dimethylphenyl)-2-methylpropanoic acid?
3-cyclopropyl-3-(3,4-dimethylphenyl)-2-methylpropanoic acid has a molecular weight of 232.32 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(3,4-dimethylphenyl)-2-methylpropanoic acid is sourced from PubChem (CID 123951651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).