5-[(1R,2R)-2-methylcyclohexyl]benzene-1,3-diol

C13H18O2 — CID 124645673

IUPAC5-[(1R,2R)-2-methylcyclohexyl]benzene-1,3-diol
SMILESC[C@@H]1CCCC[C@H]1c1cc(O)cc(O)c1
InChIInChI=1S/C13H18O2/c1-9-4-2-3-5-13(9)10-6-11(14)8-12(15)7-10/h6-9,13-15H,2-5H2,1H3/t9-,13-/m1/s1
InChIKeyAQEAENFQJVYDID-NOZJJQNGSA-N
MW206.29 g/mol
LogP3.39
Rot. Bonds1

About 5-[(1R,2R)-2-methylcyclohexyl]benzene-1,3-diol

5-[(1R,2R)-2-methylcyclohexyl]benzene-1,3-diol (PubChem CID 124645673) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 5-[(1R,2R)-2-methylcyclohexyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[(1R,2R)-2-methylcyclohexyl]benzene-1,3-diol
PubChem CID124645673
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name5-[(1R,2R)-2-methylcyclohexyl]benzene-1,3-diol
SMILESC[C@@H]1CCCC[C@H]1c1cc(O)cc(O)c1
InChIInChI=1S/C13H18O2/c1-9-4-2-3-5-13(9)10-6-11(14)8-12(15)7-10/h6-9,13-15H,2-5H2,1H3/t9-,13-/m1/s1
InChIKeyAQEAENFQJVYDID-NOZJJQNGSA-N
XLogP3.39
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dimethoxy-5-[(1R,2R)-2-methylcyclohexyl]benzene
CID 124645669
3-methyl-5-[(1S,2R)-2-methylcyclohexyl]aniline
CID 125449769
(2-methylcyclopentyl)benzene
CID 12600454
methyl 3-fluoro-5-[(1S,2S)-2-methylcyclohexyl]benzoate
CID 58617168
carbon dioxide;[(1S,2S)-2-methylcyclohexyl]benzene
CID 123742009
2-(diethylaminomethyl)-4-(2-methylcyclohexyl)phenol;hydrochloride
CID 117066702
N-[4-[(1S,2S)-2-methylcyclohexyl]phenyl]acetamide
CID 826163
5-[(1R,2R)-2-methylcyclohexyl]-1,3-benzodioxole
CID 50930797
2-(2-methylcyclohexyl)-1-benzothiophen-6-ol
CID 69049794
1-methyl-3-[(1S,2R)-2-methylcyclopentyl]benzene
CID 58641993
4-(2-fluorocyclohexyl)phenol
CID 83855788
3-(2-methylcyclopentyl)aniline
CID 165463165

Frequently Asked Questions

What is the IUPAC name of 5-[(1R,2R)-2-methylcyclohexyl]benzene-1,3-diol?
The IUPAC name of 5-[(1R,2R)-2-methylcyclohexyl]benzene-1,3-diol (CID 124645673) is 5-[(1R,2R)-2-methylcyclohexyl]benzene-1,3-diol.
What is the SMILES notation for 5-[(1R,2R)-2-methylcyclohexyl]benzene-1,3-diol?
The canonical SMILES for 5-[(1R,2R)-2-methylcyclohexyl]benzene-1,3-diol is C[C@@H]1CCCC[C@H]1c1cc(O)cc(O)c1.
What is the InChIKey of 5-[(1R,2R)-2-methylcyclohexyl]benzene-1,3-diol?
The InChIKey is AQEAENFQJVYDID-NOZJJQNGSA-N. The full InChI is InChI=1S/C13H18O2/c1-9-4-2-3-5-13(9)10-6-11(14)8-12(15)7-10/h6-9,13-15H,2-5H2,1H3/t9-,13-/m1/s1.
What are the key properties of 5-[(1R,2R)-2-methylcyclohexyl]benzene-1,3-diol?
5-[(1R,2R)-2-methylcyclohexyl]benzene-1,3-diol has a molecular weight of 206.29 g/mol, XLogP of 3.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,2R)-2-methylcyclohexyl]benzene-1,3-diol is sourced from PubChem (CID 124645673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).