2-cyclohexylbenzoic acid

C13H16O2 — CID 7020572

IUPAC2-cyclohexylbenzoic acid
SMILESO=C(O)c1ccccc1C1CCCCC1
InChIInChI=1S/C13H16O2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,14,15)
InChIKeyZKTFZNPTAJIXMK-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.43
Rot. Bonds2

About 2-cyclohexylbenzoic acid

2-cyclohexylbenzoic acid (PubChem CID 7020572) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-cyclohexylbenzoic acid.

Molecular Properties

Compound Name2-cyclohexylbenzoic acid
PubChem CID7020572
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name2-cyclohexylbenzoic acid
SMILESO=C(O)c1ccccc1C1CCCCC1
InChIInChI=1S/C13H16O2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,14,15)
InChIKeyZKTFZNPTAJIXMK-UHFFFAOYSA-N
XLogP3.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylbenzoic acid?
The IUPAC name of 2-cyclohexylbenzoic acid (CID 7020572) is 2-cyclohexylbenzoic acid.
What is the SMILES notation for 2-cyclohexylbenzoic acid?
The canonical SMILES for 2-cyclohexylbenzoic acid is O=C(O)c1ccccc1C1CCCCC1.
What is the InChIKey of 2-cyclohexylbenzoic acid?
The InChIKey is ZKTFZNPTAJIXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,14,15).
What are the key properties of 2-cyclohexylbenzoic acid?
2-cyclohexylbenzoic acid has a molecular weight of 204.27 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylbenzoic acid is sourced from PubChem (CID 7020572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).