1-(2-hydroxy-2-phenylpropyl)cyclopropane-1-carboxylic acid

C13H16O3 — CID 79426271

IUPAC1-(2-hydroxy-2-phenylpropyl)cyclopropane-1-carboxylic acid
SMILESCC(O)(CC1(C(=O)O)CC1)c1ccccc1
InChIInChI=1S/C13H16O3/c1-12(16,10-5-3-2-4-6-10)9-13(7-8-13)11(14)15/h2-6,16H,7-9H2,1H3,(H,14,15)
InChIKeyYALVBTZYDWPYGR-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.15
Rot. Bonds4

About 1-(2-hydroxy-2-phenylpropyl)cyclopropane-1-carboxylic acid

1-(2-hydroxy-2-phenylpropyl)cyclopropane-1-carboxylic acid (PubChem CID 79426271) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(2-hydroxy-2-phenylpropyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxy-2-phenylpropyl)cyclopropane-1-carboxylic acid
PubChem CID79426271
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name1-(2-hydroxy-2-phenylpropyl)cyclopropane-1-carboxylic acid
SMILESCC(O)(CC1(C(=O)O)CC1)c1ccccc1
InChIInChI=1S/C13H16O3/c1-12(16,10-5-3-2-4-6-10)9-13(7-8-13)11(14)15/h2-6,16H,7-9H2,1H3,(H,14,15)
InChIKeyYALVBTZYDWPYGR-UHFFFAOYSA-N
XLogP2.15
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-hydroxy-2-phenylpropyl)thiolane-2-carboxylic acid
CID 83174314
(2S,4R)-2,4-diphenylpentane-2,4-diol
CID 139037078
1-benzylcyclopropane-1-carboxylic acid
CID 562561
1-amino-2-phenylpropan-2-ol;hydrochloride
CID 17039439
2-(2-hydroxy-2-phenylpropyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 79425213
4-[[(2-methyl-2-phenylpropanoyl)amino]methyl]oxane-4-carboxylic acid
CID 120543239
3-ethyl-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid
CID 63146380
1-(benzoyloxymethyl)cyclopropane-1-carboxylic acid
CID 174589063
3-hydroxy-N-(2-hydroxy-2-phenylpropyl)-3-phenylbutanamide
CID 110025392
1-[[(4-tert-butylbenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449901
ethane;2-hydroxy-2,2-diphenylacetic acid
CID 143307418
(2R)-2-hydroxy-2-phenylpropanoic acid
CID 736858

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-phenylpropyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2-hydroxy-2-phenylpropyl)cyclopropane-1-carboxylic acid (CID 79426271) is 1-(2-hydroxy-2-phenylpropyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxy-2-phenylpropyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2-hydroxy-2-phenylpropyl)cyclopropane-1-carboxylic acid is CC(O)(CC1(C(=O)O)CC1)c1ccccc1.
What is the InChIKey of 1-(2-hydroxy-2-phenylpropyl)cyclopropane-1-carboxylic acid?
The InChIKey is YALVBTZYDWPYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-12(16,10-5-3-2-4-6-10)9-13(7-8-13)11(14)15/h2-6,16H,7-9H2,1H3,(H,14,15).
What are the key properties of 1-(2-hydroxy-2-phenylpropyl)cyclopropane-1-carboxylic acid?
1-(2-hydroxy-2-phenylpropyl)cyclopropane-1-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-phenylpropyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 79426271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).