2-hydroxy-2-[3-(4-methylcyclohexyl)phenyl]acetic acid

C15H20O3 — CID 117374049

IUPAC2-hydroxy-2-[3-(4-methylcyclohexyl)phenyl]acetic acid
SMILESCC1CCC(c2cccc(C(O)C(=O)O)c2)CC1
InChIInChI=1S/C15H20O3/c1-10-5-7-11(8-6-10)12-3-2-4-13(9-12)14(16)15(17)18/h2-4,9-11,14,16H,5-8H2,1H3,(H,17,18)
InChIKeyMWNBJCJTKPXPDJ-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.10
Rot. Bonds3

About 2-hydroxy-2-[3-(4-methylcyclohexyl)phenyl]acetic acid

2-hydroxy-2-[3-(4-methylcyclohexyl)phenyl]acetic acid (PubChem CID 117374049) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-hydroxy-2-[3-(4-methylcyclohexyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-[3-(4-methylcyclohexyl)phenyl]acetic acid
PubChem CID117374049
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name2-hydroxy-2-[3-(4-methylcyclohexyl)phenyl]acetic acid
SMILESCC1CCC(c2cccc(C(O)C(=O)O)c2)CC1
InChIInChI=1S/C15H20O3/c1-10-5-7-11(8-6-10)12-3-2-4-13(9-12)14(16)15(17)18/h2-4,9-11,14,16H,5-8H2,1H3,(H,17,18)
InChIKeyMWNBJCJTKPXPDJ-UHFFFAOYSA-N
XLogP3.10
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[3-(4-methylcyclohexyl)phenyl]acetic acid?
The IUPAC name of 2-hydroxy-2-[3-(4-methylcyclohexyl)phenyl]acetic acid (CID 117374049) is 2-hydroxy-2-[3-(4-methylcyclohexyl)phenyl]acetic acid.
What is the SMILES notation for 2-hydroxy-2-[3-(4-methylcyclohexyl)phenyl]acetic acid?
The canonical SMILES for 2-hydroxy-2-[3-(4-methylcyclohexyl)phenyl]acetic acid is CC1CCC(c2cccc(C(O)C(=O)O)c2)CC1.
What is the InChIKey of 2-hydroxy-2-[3-(4-methylcyclohexyl)phenyl]acetic acid?
The InChIKey is MWNBJCJTKPXPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-10-5-7-11(8-6-10)12-3-2-4-13(9-12)14(16)15(17)18/h2-4,9-11,14,16H,5-8H2,1H3,(H,17,18).
What are the key properties of 2-hydroxy-2-[3-(4-methylcyclohexyl)phenyl]acetic acid?
2-hydroxy-2-[3-(4-methylcyclohexyl)phenyl]acetic acid has a molecular weight of 248.32 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[3-(4-methylcyclohexyl)phenyl]acetic acid is sourced from PubChem (CID 117374049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).