3-chloro-5-cyclohexyl-2-hydroxybenzoic acid

C13H15ClO3 — CID 20521551

IUPAC3-chloro-5-cyclohexyl-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(C2CCCCC2)cc(Cl)c1O
InChIInChI=1S/C13H15ClO3/c14-11-7-9(8-4-2-1-3-5-8)6-10(12(11)15)13(16)17/h6-8,15H,1-5H2,(H,16,17)
InChIKeyJNNHSYDQIMFSRQ-UHFFFAOYSA-N
MW254.71 g/mol
LogP3.79
Rot. Bonds2

About 3-chloro-5-cyclohexyl-2-hydroxybenzoic acid

3-chloro-5-cyclohexyl-2-hydroxybenzoic acid (PubChem CID 20521551) has the molecular formula C13H15ClO3 and a molecular weight of 254.71 g/mol. Its IUPAC name is 3-chloro-5-cyclohexyl-2-hydroxybenzoic acid.

Molecular Properties

Compound Name3-chloro-5-cyclohexyl-2-hydroxybenzoic acid
PubChem CID20521551
Molecular FormulaC13H15ClO3
Molecular Weight254.71 g/mol
Exact Mass254.07
IUPAC Name3-chloro-5-cyclohexyl-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(C2CCCCC2)cc(Cl)c1O
InChIInChI=1S/C13H15ClO3/c14-11-7-9(8-4-2-1-3-5-8)6-10(12(11)15)13(16)17/h6-8,15H,1-5H2,(H,16,17)
InChIKeyJNNHSYDQIMFSRQ-UHFFFAOYSA-N
XLogP3.79
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.71
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-cyclohexyl-2-hydroxybenzoic acid?
The IUPAC name of 3-chloro-5-cyclohexyl-2-hydroxybenzoic acid (CID 20521551) is 3-chloro-5-cyclohexyl-2-hydroxybenzoic acid.
What is the SMILES notation for 3-chloro-5-cyclohexyl-2-hydroxybenzoic acid?
The canonical SMILES for 3-chloro-5-cyclohexyl-2-hydroxybenzoic acid is O=C(O)c1cc(C2CCCCC2)cc(Cl)c1O.
What is the InChIKey of 3-chloro-5-cyclohexyl-2-hydroxybenzoic acid?
The InChIKey is JNNHSYDQIMFSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO3/c14-11-7-9(8-4-2-1-3-5-8)6-10(12(11)15)13(16)17/h6-8,15H,1-5H2,(H,16,17).
What are the key properties of 3-chloro-5-cyclohexyl-2-hydroxybenzoic acid?
3-chloro-5-cyclohexyl-2-hydroxybenzoic acid has a molecular weight of 254.71 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-cyclohexyl-2-hydroxybenzoic acid is sourced from PubChem (CID 20521551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).