3-chloro-5-cyclohexyl-2-hydroxybenzaldehyde

C13H15ClO2 — CID 3256884

IUPAC3-chloro-5-cyclohexyl-2-hydroxybenzaldehyde
SMILESO=Cc1cc(C2CCCCC2)cc(Cl)c1O
InChIInChI=1S/C13H15ClO2/c14-12-7-10(6-11(8-15)13(12)16)9-4-2-1-3-5-9/h6-9,16H,1-5H2
InChIKeyJLNRHGFUCPRGPY-UHFFFAOYSA-N
MW238.71 g/mol
LogP3.91
Rot. Bonds2

About 3-chloro-5-cyclohexyl-2-hydroxybenzaldehyde

3-chloro-5-cyclohexyl-2-hydroxybenzaldehyde (PubChem CID 3256884) has the molecular formula C13H15ClO2 and a molecular weight of 238.71 g/mol. Its IUPAC name is 3-chloro-5-cyclohexyl-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name3-chloro-5-cyclohexyl-2-hydroxybenzaldehyde
PubChem CID3256884
Molecular FormulaC13H15ClO2
Molecular Weight238.71 g/mol
Exact Mass238.08
IUPAC Name3-chloro-5-cyclohexyl-2-hydroxybenzaldehyde
SMILESO=Cc1cc(C2CCCCC2)cc(Cl)c1O
InChIInChI=1S/C13H15ClO2/c14-12-7-10(6-11(8-15)13(12)16)9-4-2-1-3-5-9/h6-9,16H,1-5H2
InChIKeyJLNRHGFUCPRGPY-UHFFFAOYSA-N
XLogP3.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.71
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-cyclohexyl-2-hydroxybenzaldehyde?
The IUPAC name of 3-chloro-5-cyclohexyl-2-hydroxybenzaldehyde (CID 3256884) is 3-chloro-5-cyclohexyl-2-hydroxybenzaldehyde.
What is the SMILES notation for 3-chloro-5-cyclohexyl-2-hydroxybenzaldehyde?
The canonical SMILES for 3-chloro-5-cyclohexyl-2-hydroxybenzaldehyde is O=Cc1cc(C2CCCCC2)cc(Cl)c1O.
What is the InChIKey of 3-chloro-5-cyclohexyl-2-hydroxybenzaldehyde?
The InChIKey is JLNRHGFUCPRGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO2/c14-12-7-10(6-11(8-15)13(12)16)9-4-2-1-3-5-9/h6-9,16H,1-5H2.
What are the key properties of 3-chloro-5-cyclohexyl-2-hydroxybenzaldehyde?
3-chloro-5-cyclohexyl-2-hydroxybenzaldehyde has a molecular weight of 238.71 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-cyclohexyl-2-hydroxybenzaldehyde is sourced from PubChem (CID 3256884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).