(1R)-1-(2-hydroxy-6-methylphenyl)ethane-1,2-diol

C9H12O3 — CID 162967922

IUPAC(1R)-1-(2-hydroxy-6-methylphenyl)ethane-1,2-diol
SMILESCc1cccc(O)c1[C@@H](O)CO
InChIInChI=1S/C9H12O3/c1-6-3-2-4-7(11)9(6)8(12)5-10/h2-4,8,10-12H,5H2,1H3/t8-/m0/s1
InChIKeyUEFJTAUSZUHPLN-QMMMGPOBSA-N
MW168.19 g/mol
LogP0.73
Rot. Bonds2

About (1R)-1-(2-hydroxy-6-methylphenyl)ethane-1,2-diol

(1R)-1-(2-hydroxy-6-methylphenyl)ethane-1,2-diol (PubChem CID 162967922) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is (1R)-1-(2-hydroxy-6-methylphenyl)ethane-1,2-diol.

Molecular Properties

Compound Name(1R)-1-(2-hydroxy-6-methylphenyl)ethane-1,2-diol
PubChem CID162967922
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name(1R)-1-(2-hydroxy-6-methylphenyl)ethane-1,2-diol
SMILESCc1cccc(O)c1[C@@H](O)CO
InChIInChI=1S/C9H12O3/c1-6-3-2-4-7(11)9(6)8(12)5-10/h2-4,8,10-12H,5H2,1H3/t8-/m0/s1
InChIKeyUEFJTAUSZUHPLN-QMMMGPOBSA-N
XLogP0.73
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[hydroxy(phenyl)methyl]-3-methylphenol
CID 54494463
2-amino-1-(2-hydroxy-6-methylphenyl)butane-1,4-diol
CID 112717400
3-chloro-1-(2-hydroxy-6-methylphenyl)propane-1,2-diol
CID 171861659
2-[(1R)-1-aminopropyl]-3-methylphenol
CID 130648593
2-[4-(aminomethyl)-5-hydroxypentan-2-yl]-3-methylphenol
CID 83923738
2-(1-ethoxyethyl)-3-methylphenol
CID 67321462
2-[1-(2-hydroxyphenyl)ethyl]-3-methylphenol
CID 66812750
2-(2,6-dimethylphenyl)-3-hydroxypropanenitrile
CID 15461889
1-(2,6-dimethylphenyl)-5,5-dimethylhex-3-yn-1-ol
CID 114190713
2-(5-aminopentan-2-yl)-3-methylphenol
CID 83923785
1-amino-1-[2-(hydroxymethyl)-6-methylphenyl]propan-2-ol
CID 130041488
2-(hydroxymethyl)-3-methylphenol
CID 10997099

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-hydroxy-6-methylphenyl)ethane-1,2-diol?
The IUPAC name of (1R)-1-(2-hydroxy-6-methylphenyl)ethane-1,2-diol (CID 162967922) is (1R)-1-(2-hydroxy-6-methylphenyl)ethane-1,2-diol.
What is the SMILES notation for (1R)-1-(2-hydroxy-6-methylphenyl)ethane-1,2-diol?
The canonical SMILES for (1R)-1-(2-hydroxy-6-methylphenyl)ethane-1,2-diol is Cc1cccc(O)c1[C@@H](O)CO.
What is the InChIKey of (1R)-1-(2-hydroxy-6-methylphenyl)ethane-1,2-diol?
The InChIKey is UEFJTAUSZUHPLN-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H12O3/c1-6-3-2-4-7(11)9(6)8(12)5-10/h2-4,8,10-12H,5H2,1H3/t8-/m0/s1.
What are the key properties of (1R)-1-(2-hydroxy-6-methylphenyl)ethane-1,2-diol?
(1R)-1-(2-hydroxy-6-methylphenyl)ethane-1,2-diol has a molecular weight of 168.19 g/mol, XLogP of 0.73, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-hydroxy-6-methylphenyl)ethane-1,2-diol is sourced from PubChem (CID 162967922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).