3-cyclopropyl-3-[2-(2-hydroxypropan-2-yl)phenyl]propanoic acid

C15H20O3 — CID 117107758

IUPAC3-cyclopropyl-3-[2-(2-hydroxypropan-2-yl)phenyl]propanoic acid
SMILESCC(C)(O)c1ccccc1C(CC(=O)O)C1CC1
InChIInChI=1S/C15H20O3/c1-15(2,18)13-6-4-3-5-11(13)12(9-14(16)17)10-7-8-10/h3-6,10,12,18H,7-9H2,1-2H3,(H,16,17)
InChIKeyNOSHYARVRXZYBP-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.88
Rot. Bonds5

About 3-cyclopropyl-3-[2-(2-hydroxypropan-2-yl)phenyl]propanoic acid

3-cyclopropyl-3-[2-(2-hydroxypropan-2-yl)phenyl]propanoic acid (PubChem CID 117107758) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 3-cyclopropyl-3-[2-(2-hydroxypropan-2-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-[2-(2-hydroxypropan-2-yl)phenyl]propanoic acid
PubChem CID117107758
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name3-cyclopropyl-3-[2-(2-hydroxypropan-2-yl)phenyl]propanoic acid
SMILESCC(C)(O)c1ccccc1C(CC(=O)O)C1CC1
InChIInChI=1S/C15H20O3/c1-15(2,18)13-6-4-3-5-11(13)12(9-14(16)17)10-7-8-10/h3-6,10,12,18H,7-9H2,1-2H3,(H,16,17)
InChIKeyNOSHYARVRXZYBP-UHFFFAOYSA-N
XLogP2.88
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-cyclopropyl-3-(2-cyclopropyloxy-3-methoxyphenyl)propanoic acid
CID 117442474
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3-cyclopropyl-3-(3-ethyl-2-methoxyphenyl)propanoic acid
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3-(2-cyclobutyloxy-3-methoxyphenyl)-3-cyclopropylpropanoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[2-(2-hydroxypropan-2-yl)phenyl]propanoic acid?
The IUPAC name of 3-cyclopropyl-3-[2-(2-hydroxypropan-2-yl)phenyl]propanoic acid (CID 117107758) is 3-cyclopropyl-3-[2-(2-hydroxypropan-2-yl)phenyl]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-[2-(2-hydroxypropan-2-yl)phenyl]propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-[2-(2-hydroxypropan-2-yl)phenyl]propanoic acid is CC(C)(O)c1ccccc1C(CC(=O)O)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-[2-(2-hydroxypropan-2-yl)phenyl]propanoic acid?
The InChIKey is NOSHYARVRXZYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-15(2,18)13-6-4-3-5-11(13)12(9-14(16)17)10-7-8-10/h3-6,10,12,18H,7-9H2,1-2H3,(H,16,17).
What are the key properties of 3-cyclopropyl-3-[2-(2-hydroxypropan-2-yl)phenyl]propanoic acid?
3-cyclopropyl-3-[2-(2-hydroxypropan-2-yl)phenyl]propanoic acid has a molecular weight of 248.32 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[2-(2-hydroxypropan-2-yl)phenyl]propanoic acid is sourced from PubChem (CID 117107758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).