2-[2-(1-cyclobutyl-1-hydroxyethyl)phenyl]acetic acid

C14H18O3 — CID 115040193

IUPAC2-[2-(1-cyclobutyl-1-hydroxyethyl)phenyl]acetic acid
SMILESCC(O)(c1ccccc1CC(=O)O)C1CCC1
InChIInChI=1S/C14H18O3/c1-14(17,11-6-4-7-11)12-8-3-2-5-10(12)9-13(15)16/h2-3,5,8,11,17H,4,6-7,9H2,1H3,(H,15,16)
InChIKeyKTNSEAYMSNTOON-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.32
Rot. Bonds4

About 2-[2-(1-cyclobutyl-1-hydroxyethyl)phenyl]acetic acid

2-[2-(1-cyclobutyl-1-hydroxyethyl)phenyl]acetic acid (PubChem CID 115040193) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[2-(1-cyclobutyl-1-hydroxyethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(1-cyclobutyl-1-hydroxyethyl)phenyl]acetic acid
PubChem CID115040193
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name2-[2-(1-cyclobutyl-1-hydroxyethyl)phenyl]acetic acid
SMILESCC(O)(c1ccccc1CC(=O)O)C1CCC1
InChIInChI=1S/C14H18O3/c1-14(17,11-6-4-7-11)12-8-3-2-5-10(12)9-13(15)16/h2-3,5,8,11,17H,4,6-7,9H2,1H3,(H,15,16)
InChIKeyKTNSEAYMSNTOON-UHFFFAOYSA-N
XLogP2.32
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-cyclobutyl-1-hydroxyethyl)phenyl]acetic acid?
The IUPAC name of 2-[2-(1-cyclobutyl-1-hydroxyethyl)phenyl]acetic acid (CID 115040193) is 2-[2-(1-cyclobutyl-1-hydroxyethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(1-cyclobutyl-1-hydroxyethyl)phenyl]acetic acid?
The canonical SMILES for 2-[2-(1-cyclobutyl-1-hydroxyethyl)phenyl]acetic acid is CC(O)(c1ccccc1CC(=O)O)C1CCC1.
What is the InChIKey of 2-[2-(1-cyclobutyl-1-hydroxyethyl)phenyl]acetic acid?
The InChIKey is KTNSEAYMSNTOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-14(17,11-6-4-7-11)12-8-3-2-5-10(12)9-13(15)16/h2-3,5,8,11,17H,4,6-7,9H2,1H3,(H,15,16).
What are the key properties of 2-[2-(1-cyclobutyl-1-hydroxyethyl)phenyl]acetic acid?
2-[2-(1-cyclobutyl-1-hydroxyethyl)phenyl]acetic acid has a molecular weight of 234.30 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-cyclobutyl-1-hydroxyethyl)phenyl]acetic acid is sourced from PubChem (CID 115040193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).