2-cyclopropyl-2-(3-hydroxyphenyl)propanoic acid

C12H14O3 — CID 83833276

IUPAC2-cyclopropyl-2-(3-hydroxyphenyl)propanoic acid
SMILESCC(C(=O)O)(c1cccc(O)c1)C1CC1
InChIInChI=1S/C12H14O3/c1-12(11(14)15,8-5-6-8)9-3-2-4-10(13)7-9/h2-4,7-8,13H,5-6H2,1H3,(H,14,15)
InChIKeyQEPGKHGKXBJNDN-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.14
Rot. Bonds3

About 2-cyclopropyl-2-(3-hydroxyphenyl)propanoic acid

2-cyclopropyl-2-(3-hydroxyphenyl)propanoic acid (PubChem CID 83833276) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-cyclopropyl-2-(3-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(3-hydroxyphenyl)propanoic acid
PubChem CID83833276
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name2-cyclopropyl-2-(3-hydroxyphenyl)propanoic acid
SMILESCC(C(=O)O)(c1cccc(O)c1)C1CC1
InChIInChI=1S/C12H14O3/c1-12(11(14)15,8-5-6-8)9-3-2-4-10(13)7-9/h2-4,7-8,13H,5-6H2,1H3,(H,14,15)
InChIKeyQEPGKHGKXBJNDN-UHFFFAOYSA-N
XLogP2.14
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 780
Dopac
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3'-Hydroxyphenylacetic acid
CID 12122
3-(3'-Hydroxyphenyl)propionic acid
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Melilotic acid
CID 873
2-(4-Hydroxyphenyl)propionic acid
CID 102526
4-Hydroxy-o-toluic acid
CID 68475
Methyl 3,5-dihydroxyphenylacetate
CID 579787
2,5-Dihydroxy-p-benzenediacetic acid
CID 79628
3-(2-Hydroxyphenyl)propanoate
CID 6930705
2-Hydroxy-2-(4-hydroxyphenyl)propanoic acid
CID 22056978
Meta-Hydroxyphenylhydracrylic acid
CID 22600106

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(3-hydroxyphenyl)propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(3-hydroxyphenyl)propanoic acid (CID 83833276) is 2-cyclopropyl-2-(3-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(3-hydroxyphenyl)propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(3-hydroxyphenyl)propanoic acid is CC(C(=O)O)(c1cccc(O)c1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(3-hydroxyphenyl)propanoic acid?
The InChIKey is QEPGKHGKXBJNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-12(11(14)15,8-5-6-8)9-3-2-4-10(13)7-9/h2-4,7-8,13H,5-6H2,1H3,(H,14,15).
What are the key properties of 2-cyclopropyl-2-(3-hydroxyphenyl)propanoic acid?
2-cyclopropyl-2-(3-hydroxyphenyl)propanoic acid has a molecular weight of 206.24 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(3-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 83833276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).