4-(4-chloroanilino)cyclohexan-1-ol

C12H16ClNO — CID 57164198

IUPAC4-(4-chloroanilino)cyclohexan-1-ol
SMILESOC1CCC(Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C12H16ClNO/c13-9-1-3-10(4-2-9)14-11-5-7-12(15)8-6-11/h1-4,11-12,14-15H,5-8H2
InChIKeyPRHGMKOFXDWBEW-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.06
Rot. Bonds2

About 4-(4-chloroanilino)cyclohexan-1-ol

4-(4-chloroanilino)cyclohexan-1-ol (PubChem CID 57164198) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 4-(4-chloroanilino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(4-chloroanilino)cyclohexan-1-ol
PubChem CID57164198
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name4-(4-chloroanilino)cyclohexan-1-ol
SMILESOC1CCC(Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C12H16ClNO/c13-9-1-3-10(4-2-9)14-11-5-7-12(15)8-6-11/h1-4,11-12,14-15H,5-8H2
InChIKeyPRHGMKOFXDWBEW-UHFFFAOYSA-N
XLogP3.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloroanilino)cyclohexan-1-ol?
The IUPAC name of 4-(4-chloroanilino)cyclohexan-1-ol (CID 57164198) is 4-(4-chloroanilino)cyclohexan-1-ol.
What is the SMILES notation for 4-(4-chloroanilino)cyclohexan-1-ol?
The canonical SMILES for 4-(4-chloroanilino)cyclohexan-1-ol is OC1CCC(Nc2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(4-chloroanilino)cyclohexan-1-ol?
The InChIKey is PRHGMKOFXDWBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c13-9-1-3-10(4-2-9)14-11-5-7-12(15)8-6-11/h1-4,11-12,14-15H,5-8H2.
What are the key properties of 4-(4-chloroanilino)cyclohexan-1-ol?
4-(4-chloroanilino)cyclohexan-1-ol has a molecular weight of 225.72 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloroanilino)cyclohexan-1-ol is sourced from PubChem (CID 57164198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).