4-chlorophenol;cyclohexanamine

C12H18ClNO — CID 143945257

IUPAC4-chlorophenol;cyclohexanamine
SMILESNC1CCCCC1.Oc1ccc(Cl)cc1
InChIInChI=1S/C6H5ClO.C6H13N/c7-5-1-3-6(8)4-2-5;7-6-4-2-1-3-5-6/h1-4,8H;6H,1-5,7H2
InChIKeyHSGMTIWGBUMBAI-UHFFFAOYSA-N
MW227.74 g/mol
LogP3.32
Rot. Bonds

About 4-chlorophenol;cyclohexanamine

4-chlorophenol;cyclohexanamine (PubChem CID 143945257) has the molecular formula C12H18ClNO and a molecular weight of 227.74 g/mol. Its IUPAC name is 4-chlorophenol;cyclohexanamine.

Molecular Properties

Compound Name4-chlorophenol;cyclohexanamine
PubChem CID143945257
Molecular FormulaC12H18ClNO
Molecular Weight227.74 g/mol
Exact Mass227.11
IUPAC Name4-chlorophenol;cyclohexanamine
SMILESNC1CCCCC1.Oc1ccc(Cl)cc1
InChIInChI=1S/C6H5ClO.C6H13N/c7-5-1-3-6(8)4-2-5;7-6-4-2-1-3-5-6/h1-4,8H;6H,1-5,7H2
InChIKeyHSGMTIWGBUMBAI-UHFFFAOYSA-N
XLogP3.32
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclohexanamine;phenol
CID 18006893
Benzene-1,4-diol;cyclohexanamine
CID 20321714
Chlorobenzene;methanamine;phenol
CID 141838285
4-Chlorophenol;methanamine
CID 143345644
9-Azabicyclo[3.3.1]nonane;4-chlorophenol
CID 143434411
4-chlorophenol;N-methylmethanamine
CID 144079254
4-Chlorophenol;cyclobutanamine;methane
CID 144390244
2-(Phenoxy-lambda3-chloranylidene)cyclohexan-1-amine
CID 156803373
4-Chlorophenol;piperazine
CID 159117367
4-Chlorophenol;ethanamine;ethane
CID 171488905
N-[(4-chlorophenoxy)-hydroxyphosphinothioyl]cyclohexanamine
CID 172750821
4-chlorophenol;N,N-diethylethanamine
CID 174326109

Frequently Asked Questions

What is the IUPAC name of 4-chlorophenol;cyclohexanamine?
The IUPAC name of 4-chlorophenol;cyclohexanamine (CID 143945257) is 4-chlorophenol;cyclohexanamine.
What is the SMILES notation for 4-chlorophenol;cyclohexanamine?
The canonical SMILES for 4-chlorophenol;cyclohexanamine is NC1CCCCC1.Oc1ccc(Cl)cc1.
What is the InChIKey of 4-chlorophenol;cyclohexanamine?
The InChIKey is HSGMTIWGBUMBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClO.C6H13N/c7-5-1-3-6(8)4-2-5;7-6-4-2-1-3-5-6/h1-4,8H;6H,1-5,7H2.
What are the key properties of 4-chlorophenol;cyclohexanamine?
4-chlorophenol;cyclohexanamine has a molecular weight of 227.74 g/mol, XLogP of 3.32, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorophenol;cyclohexanamine is sourced from PubChem (CID 143945257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).