2-cyclohexylphenolate

C12H15O- — CID 21162907

IUPAC2-cyclohexylphenolate
SMILES[O-]c1ccccc1C1CCCCC1
InChIInChI=1S/C12H16O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h4-5,8-10,13H,1-3,6-7H2/p-1
InChIKeyMVRPPTGLVPEMPI-UHFFFAOYSA-M
MW175.25 g/mol
LogP2.81
Rot. Bonds1

About 2-cyclohexylphenolate

2-cyclohexylphenolate (PubChem CID 21162907) has the molecular formula C12H15O- and a molecular weight of 175.25 g/mol. Its IUPAC name is 2-cyclohexylphenolate.

Molecular Properties

Compound Name2-cyclohexylphenolate
PubChem CID21162907
Molecular FormulaC12H15O-
Molecular Weight175.25 g/mol
Exact Mass175.11
IUPAC Name2-cyclohexylphenolate
SMILES[O-]c1ccccc1C1CCCCC1
InChIInChI=1S/C12H16O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h4-5,8-10,13H,1-3,6-7H2/p-1
InChIKeyMVRPPTGLVPEMPI-UHFFFAOYSA-M
XLogP2.81
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylphenolate?
The IUPAC name of 2-cyclohexylphenolate (CID 21162907) is 2-cyclohexylphenolate.
What is the SMILES notation for 2-cyclohexylphenolate?
The canonical SMILES for 2-cyclohexylphenolate is [O-]c1ccccc1C1CCCCC1.
What is the InChIKey of 2-cyclohexylphenolate?
The InChIKey is MVRPPTGLVPEMPI-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H16O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h4-5,8-10,13H,1-3,6-7H2/p-1.
What are the key properties of 2-cyclohexylphenolate?
2-cyclohexylphenolate has a molecular weight of 175.25 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylphenolate is sourced from PubChem (CID 21162907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).