[(2R)-2-(1-hydroxycyclohexyl)-2-(4-hydroxyphenyl)ethyl]-dimethylazanium chloride

C16H26ClNO2 — CID 159281287

IUPAC[(2R)-2-(1-hydroxycyclohexyl)-2-(4-hydroxyphenyl)ethyl]-dimethylazanium chloride
SMILESC[NH+](C)C[C@@H](c1ccc(O)cc1)C1(O)CCCCC1.[Cl-]
InChIInChI=1S/C16H25NO2.ClH/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16;/h6-9,15,18-19H,3-5,10-12H2,1-2H3;1H/t15-;/m0./s1
InChIKeyIMWPSXHIEURNKZ-RSAXXLAASA-N
MW299.84 g/mol
LogP-1.68
Rot. Bonds4

About [(2R)-2-(1-hydroxycyclohexyl)-2-(4-hydroxyphenyl)ethyl]-dimethylazanium chloride

[(2R)-2-(1-hydroxycyclohexyl)-2-(4-hydroxyphenyl)ethyl]-dimethylazanium chloride (PubChem CID 159281287) has the molecular formula C16H26ClNO2 and a molecular weight of 299.84 g/mol. Its IUPAC name is [(2R)-2-(1-hydroxycyclohexyl)-2-(4-hydroxyphenyl)ethyl]-dimethylazanium chloride.

Molecular Properties

Compound Name[(2R)-2-(1-hydroxycyclohexyl)-2-(4-hydroxyphenyl)ethyl]-dimethylazanium chloride
PubChem CID159281287
Molecular FormulaC16H26ClNO2
Molecular Weight299.84 g/mol
Exact Mass299.17
IUPAC Name[(2R)-2-(1-hydroxycyclohexyl)-2-(4-hydroxyphenyl)ethyl]-dimethylazanium chloride
SMILESC[NH+](C)C[C@@H](c1ccc(O)cc1)C1(O)CCCCC1.[Cl-]
InChIInChI=1S/C16H25NO2.ClH/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16;/h6-9,15,18-19H,3-5,10-12H2,1-2H3;1H/t15-;/m0./s1
InChIKeyIMWPSXHIEURNKZ-RSAXXLAASA-N
XLogP-1.68
TPSA44.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.84
LogP ≤ 5-1.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(1-hydroxycyclohexyl)-4-methylpentyl]phenol
CID 143726784
4-[2-amino-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride
CID 45038987
4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrate
CID 68605984
[(2S)-2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)ethyl]-bis(trideuteriomethyl)azanium
CID 59807272
dideuteriomethyl-[(2R)-2-(1-hydroxycyclohexyl)-2-[4-(trideuteriomethoxy)phenyl]ethyl]-(trideuteriomethyl)azanium
CID 59807252
4-[1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride
CID 67641722
4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;2-hydroxypropanoic acid
CID 25268064
4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;ethanesulfonic acid
CID 44517185
4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;methane
CID 158593799
but-2-enedioic acid;4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrate
CID 68608550
4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;4-[1-(1-hydroxycyclohexyl)butyl]phenol;1-[1-(4-methoxyphenyl)butyl]cyclohexan-1-ol
CID 159437674
2,6-dideuterio-4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol
CID 25226830

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(1-hydroxycyclohexyl)-2-(4-hydroxyphenyl)ethyl]-dimethylazanium chloride?
The IUPAC name of [(2R)-2-(1-hydroxycyclohexyl)-2-(4-hydroxyphenyl)ethyl]-dimethylazanium chloride (CID 159281287) is [(2R)-2-(1-hydroxycyclohexyl)-2-(4-hydroxyphenyl)ethyl]-dimethylazanium chloride.
What is the SMILES notation for [(2R)-2-(1-hydroxycyclohexyl)-2-(4-hydroxyphenyl)ethyl]-dimethylazanium chloride?
The canonical SMILES for [(2R)-2-(1-hydroxycyclohexyl)-2-(4-hydroxyphenyl)ethyl]-dimethylazanium chloride is C[NH+](C)C[C@@H](c1ccc(O)cc1)C1(O)CCCCC1.[Cl-].
What is the InChIKey of [(2R)-2-(1-hydroxycyclohexyl)-2-(4-hydroxyphenyl)ethyl]-dimethylazanium chloride?
The InChIKey is IMWPSXHIEURNKZ-RSAXXLAASA-N. The full InChI is InChI=1S/C16H25NO2.ClH/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16;/h6-9,15,18-19H,3-5,10-12H2,1-2H3;1H/t15-;/m0./s1.
What are the key properties of [(2R)-2-(1-hydroxycyclohexyl)-2-(4-hydroxyphenyl)ethyl]-dimethylazanium chloride?
[(2R)-2-(1-hydroxycyclohexyl)-2-(4-hydroxyphenyl)ethyl]-dimethylazanium chloride has a molecular weight of 299.84 g/mol, XLogP of -1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(1-hydroxycyclohexyl)-2-(4-hydroxyphenyl)ethyl]-dimethylazanium chloride is sourced from PubChem (CID 159281287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).