3-(5-tert-butyl-2-methylphenyl)-3-cyclopropylpropanoic acid

C17H24O2 — CID 82045643

IUPAC3-(5-tert-butyl-2-methylphenyl)-3-cyclopropylpropanoic acid
SMILESCc1ccc(C(C)(C)C)cc1C(CC(=O)O)C1CC1
InChIInChI=1S/C17H24O2/c1-11-5-8-13(17(2,3)4)9-14(11)15(10-16(18)19)12-6-7-12/h5,8-9,12,15H,6-7,10H2,1-4H3,(H,18,19)
InChIKeyOTOPDSINXDUNSI-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.26
Rot. Bonds4

About 3-(5-tert-butyl-2-methylphenyl)-3-cyclopropylpropanoic acid

3-(5-tert-butyl-2-methylphenyl)-3-cyclopropylpropanoic acid (PubChem CID 82045643) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-(5-tert-butyl-2-methylphenyl)-3-cyclopropylpropanoic acid.

Molecular Properties

Compound Name3-(5-tert-butyl-2-methylphenyl)-3-cyclopropylpropanoic acid
PubChem CID82045643
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name3-(5-tert-butyl-2-methylphenyl)-3-cyclopropylpropanoic acid
SMILESCc1ccc(C(C)(C)C)cc1C(CC(=O)O)C1CC1
InChIInChI=1S/C17H24O2/c1-11-5-8-13(17(2,3)4)9-14(11)15(10-16(18)19)12-6-7-12/h5,8-9,12,15H,6-7,10H2,1-4H3,(H,18,19)
InChIKeyOTOPDSINXDUNSI-UHFFFAOYSA-N
XLogP4.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclopropyl-3-(2-methyl-5-methylsulfonylphenyl)propanoic acid
CID 117453861
3-(4-tert-butyl-5-methoxy-2-methylphenyl)-3-cyclopropylpropanoic acid
CID 117469295
3-cyclopropyl-3-[2-hydroxy-5-(trifluoromethyl)phenyl]propanoic acid
CID 117437908
3-cyclopropyl-3-[2-(2-hydroxypropan-2-yl)phenyl]propanoic acid
CID 117107758
3-cyclopropyl-3-(2-fluoro-3,5-dimethylphenyl)propanoic acid
CID 117344917
5-(2-carboxy-1-cyclopropylethyl)-2-methylbenzoic acid
CID 117373279
3-(3-chloro-4-methylphenyl)-3-cyclopropylpropanoic acid
CID 83824648
3-cyclopropyl-3-(4-methyl-3-methylsulfonylphenyl)propanoic acid
CID 117453862
3-cyclopropyl-3-[2-(1,1-difluoroethyl)phenyl]propanoic acid
CID 117388777
3-cyclopropyl-3-(4-hydroxy-3-methylphenyl)propanoic acid
CID 117314089
3-cyclopropyl-3-[3-(dimethylamino)-4-methylphenyl]propanoic acid
CID 117107841
3-cyclopropyl-3-(5-hydroxy-4-methyl-2-methylsulfanylphenyl)propanoic acid
CID 117420226

Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyl-2-methylphenyl)-3-cyclopropylpropanoic acid?
The IUPAC name of 3-(5-tert-butyl-2-methylphenyl)-3-cyclopropylpropanoic acid (CID 82045643) is 3-(5-tert-butyl-2-methylphenyl)-3-cyclopropylpropanoic acid.
What is the SMILES notation for 3-(5-tert-butyl-2-methylphenyl)-3-cyclopropylpropanoic acid?
The canonical SMILES for 3-(5-tert-butyl-2-methylphenyl)-3-cyclopropylpropanoic acid is Cc1ccc(C(C)(C)C)cc1C(CC(=O)O)C1CC1.
What is the InChIKey of 3-(5-tert-butyl-2-methylphenyl)-3-cyclopropylpropanoic acid?
The InChIKey is OTOPDSINXDUNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-11-5-8-13(17(2,3)4)9-14(11)15(10-16(18)19)12-6-7-12/h5,8-9,12,15H,6-7,10H2,1-4H3,(H,18,19).
What are the key properties of 3-(5-tert-butyl-2-methylphenyl)-3-cyclopropylpropanoic acid?
3-(5-tert-butyl-2-methylphenyl)-3-cyclopropylpropanoic acid has a molecular weight of 260.38 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butyl-2-methylphenyl)-3-cyclopropylpropanoic acid is sourced from PubChem (CID 82045643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).