1-hydroxy-4-phenylcyclohexane-1-carboxylic acid

C13H16O3 — CID 817788

IUPAC1-hydroxy-4-phenylcyclohexane-1-carboxylic acid
SMILESO=C(O)C1(O)CCC(c2ccccc2)CC1
InChIInChI=1S/C13H16O3/c14-12(15)13(16)8-6-11(7-9-13)10-4-2-1-3-5-10/h1-5,11,16H,6-9H2,(H,14,15)
InChIKeyACEIAAYLUZQYER-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.16
Rot. Bonds2

About 1-hydroxy-4-phenylcyclohexane-1-carboxylic acid

1-hydroxy-4-phenylcyclohexane-1-carboxylic acid (PubChem CID 817788) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-hydroxy-4-phenylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-4-phenylcyclohexane-1-carboxylic acid
PubChem CID817788
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name1-hydroxy-4-phenylcyclohexane-1-carboxylic acid
SMILESO=C(O)C1(O)CCC(c2ccccc2)CC1
InChIInChI=1S/C13H16O3/c14-12(15)13(16)8-6-11(7-9-13)10-4-2-1-3-5-10/h1-5,11,16H,6-9H2,(H,14,15)
InChIKeyACEIAAYLUZQYER-UHFFFAOYSA-N
XLogP2.16
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-phenylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-hydroxy-4-phenylcyclohexane-1-carboxylic acid (CID 817788) is 1-hydroxy-4-phenylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-hydroxy-4-phenylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-hydroxy-4-phenylcyclohexane-1-carboxylic acid is O=C(O)C1(O)CCC(c2ccccc2)CC1.
What is the InChIKey of 1-hydroxy-4-phenylcyclohexane-1-carboxylic acid?
The InChIKey is ACEIAAYLUZQYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c14-12(15)13(16)8-6-11(7-9-13)10-4-2-1-3-5-10/h1-5,11,16H,6-9H2,(H,14,15).
What are the key properties of 1-hydroxy-4-phenylcyclohexane-1-carboxylic acid?
1-hydroxy-4-phenylcyclohexane-1-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-phenylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 817788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).