3-[2-(1-hydroxycyclopropyl)phenyl]-2-methylpropanoic acid

C13H16O3 — CID 115112820

IUPAC3-[2-(1-hydroxycyclopropyl)phenyl]-2-methylpropanoic acid
SMILESCC(Cc1ccccc1C1(O)CC1)C(=O)O
InChIInChI=1S/C13H16O3/c1-9(12(14)15)8-10-4-2-3-5-11(10)13(16)6-7-13/h2-5,9,16H,6-8H2,1H3,(H,14,15)
InChIKeyRTSUAYZPFQKNIL-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.93
Rot. Bonds4

About 3-[2-(1-hydroxycyclopropyl)phenyl]-2-methylpropanoic acid

3-[2-(1-hydroxycyclopropyl)phenyl]-2-methylpropanoic acid (PubChem CID 115112820) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-[2-(1-hydroxycyclopropyl)phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[2-(1-hydroxycyclopropyl)phenyl]-2-methylpropanoic acid
PubChem CID115112820
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name3-[2-(1-hydroxycyclopropyl)phenyl]-2-methylpropanoic acid
SMILESCC(Cc1ccccc1C1(O)CC1)C(=O)O
InChIInChI=1S/C13H16O3/c1-9(12(14)15)8-10-4-2-3-5-11(10)13(16)6-7-13/h2-5,9,16H,6-8H2,1H3,(H,14,15)
InChIKeyRTSUAYZPFQKNIL-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-methylpropyl)phenyl]cyclobutan-1-ol
CID 174482339
3-[2-(1-hydroxycyclopropyl)phenyl]propanoic acid
CID 117114834
(2R)-3-(2-chlorophenyl)-2-methylpropanoic acid
CID 40999440
1-[2-(2-methylpropyl)phenyl]cyclopropane-1-carboxylic acid
CID 105425261
1-[2-(fluoromethyl)phenyl]cyclopropan-1-ol
CID 117276392
2-methyl-3-(2-pentan-3-ylphenyl)propanoic acid
CID 115006023
3-[2-(diethylamino)phenyl]-2-methylpropanoic acid
CID 117342727
3-[2-(carbamoyloxymethyl)phenyl]-2-methylpropanoic acid
CID 67924023
ethane;2-methyl-3-phenylpropanoic acid
CID 90856303
calcium 2-methyl-3-phenylpropanoic acid
CID 51348696
1-[2-(2-amino-2-methylpropyl)phenyl]cyclopropan-1-ol
CID 117111971
3-(2,3-difluorophenyl)-2-methylpropanoic acid
CID 61130457

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-hydroxycyclopropyl)phenyl]-2-methylpropanoic acid?
The IUPAC name of 3-[2-(1-hydroxycyclopropyl)phenyl]-2-methylpropanoic acid (CID 115112820) is 3-[2-(1-hydroxycyclopropyl)phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[2-(1-hydroxycyclopropyl)phenyl]-2-methylpropanoic acid?
The canonical SMILES for 3-[2-(1-hydroxycyclopropyl)phenyl]-2-methylpropanoic acid is CC(Cc1ccccc1C1(O)CC1)C(=O)O.
What is the InChIKey of 3-[2-(1-hydroxycyclopropyl)phenyl]-2-methylpropanoic acid?
The InChIKey is RTSUAYZPFQKNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-9(12(14)15)8-10-4-2-3-5-11(10)13(16)6-7-13/h2-5,9,16H,6-8H2,1H3,(H,14,15).
What are the key properties of 3-[2-(1-hydroxycyclopropyl)phenyl]-2-methylpropanoic acid?
3-[2-(1-hydroxycyclopropyl)phenyl]-2-methylpropanoic acid has a molecular weight of 220.27 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-hydroxycyclopropyl)phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 115112820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).