(1R,2R,6S)-2-(4-chlorophenoxy)-6-imidazol-1-ylcyclohexan-1-ol

C15H17ClN2O2 — CID 155996966

IUPAC(1R,2R,6S)-2-(4-chlorophenoxy)-6-imidazol-1-ylcyclohexan-1-ol
SMILESO[C@H]1[C@H](Oc2ccc(Cl)cc2)CCC[C@@H]1n1ccnc1
InChIInChI=1S/C15H17ClN2O2/c16-11-4-6-12(7-5-11)20-14-3-1-2-13(15(14)19)18-9-8-17-10-18/h4-10,13-15,19H,1-3H2/t13-,14+,15+/m0/s1
InChIKeyINMMFLRPMWGQPG-RRFJBIMHSA-N
MW292.77 g/mol
LogP3.07
Rot. Bonds3

About (1R,2R,6S)-2-(4-chlorophenoxy)-6-imidazol-1-ylcyclohexan-1-ol

(1R,2R,6S)-2-(4-chlorophenoxy)-6-imidazol-1-ylcyclohexan-1-ol (PubChem CID 155996966) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is (1R,2R,6S)-2-(4-chlorophenoxy)-6-imidazol-1-ylcyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2R,6S)-2-(4-chlorophenoxy)-6-imidazol-1-ylcyclohexan-1-ol
PubChem CID155996966
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name(1R,2R,6S)-2-(4-chlorophenoxy)-6-imidazol-1-ylcyclohexan-1-ol
SMILESO[C@H]1[C@H](Oc2ccc(Cl)cc2)CCC[C@@H]1n1ccnc1
InChIInChI=1S/C15H17ClN2O2/c16-11-4-6-12(7-5-11)20-14-3-1-2-13(15(14)19)18-9-8-17-10-18/h4-10,13-15,19H,1-3H2/t13-,14+,15+/m0/s1
InChIKeyINMMFLRPMWGQPG-RRFJBIMHSA-N
XLogP3.07
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-di(imidazol-1-yl)cyclohexan-1-ol
CID 91619575
5-chloro-2-(2-imidazol-1-ylcyclohexyl)oxyaniline
CID 82037690
(1R)-2-imidazol-1-ylcyclopentan-1-ol
CID 126638483
2-[4-(4-chlorophenyl)sulfanylphenoxy]cyclopentan-1-ol
CID 54259316
[3-(2-imidazol-1-ylcyclohexyl)oxyphenyl]methanamine
CID 82037283
N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]pyridazine-4-carboxamide
CID 110127815
2-bromo-4-chloro-N-(2-imidazol-1-ylcyclopentyl)benzamide
CID 103763911
(4-chlorophenyl)-(4-imidazol-1-ylpiperidin-1-yl)methanone
CID 47089047
1-[(1S,2S)-2-imidazol-1-ylcyclopentyl]-3-(4-methoxyphenyl)urea
CID 95760441
2-(4-fluorophenyl)-N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]acetamide
CID 110127757
3-(4-chlorophenoxy)cyclohexan-1-ol
CID 123350797
2-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]cyclopentan-1-amine
CID 43734301

Frequently Asked Questions

What is the IUPAC name of (1R,2R,6S)-2-(4-chlorophenoxy)-6-imidazol-1-ylcyclohexan-1-ol?
The IUPAC name of (1R,2R,6S)-2-(4-chlorophenoxy)-6-imidazol-1-ylcyclohexan-1-ol (CID 155996966) is (1R,2R,6S)-2-(4-chlorophenoxy)-6-imidazol-1-ylcyclohexan-1-ol.
What is the SMILES notation for (1R,2R,6S)-2-(4-chlorophenoxy)-6-imidazol-1-ylcyclohexan-1-ol?
The canonical SMILES for (1R,2R,6S)-2-(4-chlorophenoxy)-6-imidazol-1-ylcyclohexan-1-ol is O[C@H]1[C@H](Oc2ccc(Cl)cc2)CCC[C@@H]1n1ccnc1.
What is the InChIKey of (1R,2R,6S)-2-(4-chlorophenoxy)-6-imidazol-1-ylcyclohexan-1-ol?
The InChIKey is INMMFLRPMWGQPG-RRFJBIMHSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c16-11-4-6-12(7-5-11)20-14-3-1-2-13(15(14)19)18-9-8-17-10-18/h4-10,13-15,19H,1-3H2/t13-,14+,15+/m0/s1.
What are the key properties of (1R,2R,6S)-2-(4-chlorophenoxy)-6-imidazol-1-ylcyclohexan-1-ol?
(1R,2R,6S)-2-(4-chlorophenoxy)-6-imidazol-1-ylcyclohexan-1-ol has a molecular weight of 292.77 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6S)-2-(4-chlorophenoxy)-6-imidazol-1-ylcyclohexan-1-ol is sourced from PubChem (CID 155996966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).