2,6-dichloro-4-cyclohexylphenol;2-(2-hydroxyethylamino)ethanol

C16H25Cl2NO3 — CID 70614132

IUPAC2,6-dichloro-4-cyclohexylphenol;2-(2-hydroxyethylamino)ethanol
SMILESOCCNCCO.Oc1c(Cl)cc(C2CCCCC2)cc1Cl
InChIInChI=1S/C12H14Cl2O.C4H11NO2/c13-10-6-9(7-11(14)12(10)15)8-4-2-1-3-5-8;6-3-1-5-2-4-7/h6-8,15H,1-5H2;5-7H,1-4H2
InChIKeyHNKKHOJGUKEXHR-UHFFFAOYSA-N
MW350.29 g/mol
LogP3.31
Rot. Bonds5

About 2,6-dichloro-4-cyclohexylphenol;2-(2-hydroxyethylamino)ethanol

2,6-dichloro-4-cyclohexylphenol;2-(2-hydroxyethylamino)ethanol (PubChem CID 70614132) has the molecular formula C16H25Cl2NO3 and a molecular weight of 350.29 g/mol. Its IUPAC name is 2,6-dichloro-4-cyclohexylphenol;2-(2-hydroxyethylamino)ethanol.

Molecular Properties

Compound Name2,6-dichloro-4-cyclohexylphenol;2-(2-hydroxyethylamino)ethanol
PubChem CID70614132
Molecular FormulaC16H25Cl2NO3
Molecular Weight350.29 g/mol
Exact Mass349.12
IUPAC Name2,6-dichloro-4-cyclohexylphenol;2-(2-hydroxyethylamino)ethanol
SMILESOCCNCCO.Oc1c(Cl)cc(C2CCCCC2)cc1Cl
InChIInChI=1S/C12H14Cl2O.C4H11NO2/c13-10-6-9(7-11(14)12(10)15)8-4-2-1-3-5-8;6-3-1-5-2-4-7/h6-8,15H,1-5H2;5-7H,1-4H2
InChIKeyHNKKHOJGUKEXHR-UHFFFAOYSA-N
XLogP3.31
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.29
LogP ≤ 53.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-6-chloro-4-cyclohexylphenol;hydrochloride
CID 45259791
2-(2-aminoethyl)-6-chloro-4-cyclohexylphenol
CID 170868491
2,6-dichloro-4-cyclohexylphenol;phenylmethanamine
CID 70600488
3-chloro-5-cyclohexyl-2-hydroxybenzoic acid
CID 20521551
2-chloro-4-cyclohexyl-6-[3-(dimethylamino)propyl]phenol
CID 170865474
1,3,5-tricyclopentylbenzene
CID 611596
2,4-dichloro-6-[(cyclononylamino)methyl]phenol
CID 90015699
2,6-diamino-4-cyclohexylphenol
CID 12501819
4-cyclooctyl-2,6-difluorophenol
CID 151133055
2,6-dichloro-4-(cycloheptylmethylamino)phenol
CID 107678839
4-cyclohexyl-2-[[5-cyclohexyl-2-hydroxy-3-(hydroxymethyl)phenyl]disulfanyl]-6-(hydroxymethyl)phenol
CID 71319383
2-(2-cycloheptylethylamino)ethanol
CID 22723010

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-cyclohexylphenol;2-(2-hydroxyethylamino)ethanol?
The IUPAC name of 2,6-dichloro-4-cyclohexylphenol;2-(2-hydroxyethylamino)ethanol (CID 70614132) is 2,6-dichloro-4-cyclohexylphenol;2-(2-hydroxyethylamino)ethanol.
What is the SMILES notation for 2,6-dichloro-4-cyclohexylphenol;2-(2-hydroxyethylamino)ethanol?
The canonical SMILES for 2,6-dichloro-4-cyclohexylphenol;2-(2-hydroxyethylamino)ethanol is OCCNCCO.Oc1c(Cl)cc(C2CCCCC2)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-cyclohexylphenol;2-(2-hydroxyethylamino)ethanol?
The InChIKey is HNKKHOJGUKEXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2O.C4H11NO2/c13-10-6-9(7-11(14)12(10)15)8-4-2-1-3-5-8;6-3-1-5-2-4-7/h6-8,15H,1-5H2;5-7H,1-4H2.
What are the key properties of 2,6-dichloro-4-cyclohexylphenol;2-(2-hydroxyethylamino)ethanol?
2,6-dichloro-4-cyclohexylphenol;2-(2-hydroxyethylamino)ethanol has a molecular weight of 350.29 g/mol, XLogP of 3.31, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-cyclohexylphenol;2-(2-hydroxyethylamino)ethanol is sourced from PubChem (CID 70614132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).