3-cyclohexyl-2,6-dihydroxybenzoic acid

C13H16O4 — CID 125490801

IUPAC3-cyclohexyl-2,6-dihydroxybenzoic acid
SMILESO=C(O)c1c(O)ccc(C2CCCCC2)c1O
InChIInChI=1S/C13H16O4/c14-10-7-6-9(8-4-2-1-3-5-8)12(15)11(10)13(16)17/h6-8,14-15H,1-5H2,(H,16,17)
InChIKeyYHRITFJKMYLCFG-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.84
Rot. Bonds2

About 3-cyclohexyl-2,6-dihydroxybenzoic acid

3-cyclohexyl-2,6-dihydroxybenzoic acid (PubChem CID 125490801) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-cyclohexyl-2,6-dihydroxybenzoic acid.

Molecular Properties

Compound Name3-cyclohexyl-2,6-dihydroxybenzoic acid
PubChem CID125490801
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name3-cyclohexyl-2,6-dihydroxybenzoic acid
SMILESO=C(O)c1c(O)ccc(C2CCCCC2)c1O
InChIInChI=1S/C13H16O4/c14-10-7-6-9(8-4-2-1-3-5-8)12(15)11(10)13(16)17/h6-8,14-15H,1-5H2,(H,16,17)
InChIKeyYHRITFJKMYLCFG-UHFFFAOYSA-N
XLogP2.84
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2,6-dihydroxybenzoic acid?
The IUPAC name of 3-cyclohexyl-2,6-dihydroxybenzoic acid (CID 125490801) is 3-cyclohexyl-2,6-dihydroxybenzoic acid.
What is the SMILES notation for 3-cyclohexyl-2,6-dihydroxybenzoic acid?
The canonical SMILES for 3-cyclohexyl-2,6-dihydroxybenzoic acid is O=C(O)c1c(O)ccc(C2CCCCC2)c1O.
What is the InChIKey of 3-cyclohexyl-2,6-dihydroxybenzoic acid?
The InChIKey is YHRITFJKMYLCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c14-10-7-6-9(8-4-2-1-3-5-8)12(15)11(10)13(16)17/h6-8,14-15H,1-5H2,(H,16,17).
What are the key properties of 3-cyclohexyl-2,6-dihydroxybenzoic acid?
3-cyclohexyl-2,6-dihydroxybenzoic acid has a molecular weight of 236.27 g/mol, XLogP of 2.84, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2,6-dihydroxybenzoic acid is sourced from PubChem (CID 125490801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).