(1R,2R)-1-(3-methylphenyl)propane-1,2-diol

C10H14O2 — CID 134966873

IUPAC(1R,2R)-1-(3-methylphenyl)propane-1,2-diol
SMILESCc1cccc([C@@H](O)[C@@H](C)O)c1
InChIInChI=1S/C10H14O2/c1-7-4-3-5-9(6-7)10(12)8(2)11/h3-6,8,10-12H,1-2H3/t8-,10+/m1/s1
InChIKeyOMSYFRNPYYXGBD-SCZZXKLOSA-N
MW166.22 g/mol
LogP1.41
Rot. Bonds2

About (1R,2R)-1-(3-methylphenyl)propane-1,2-diol

(1R,2R)-1-(3-methylphenyl)propane-1,2-diol (PubChem CID 134966873) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (1R,2R)-1-(3-methylphenyl)propane-1,2-diol.

Molecular Properties

Compound Name(1R,2R)-1-(3-methylphenyl)propane-1,2-diol
PubChem CID134966873
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(1R,2R)-1-(3-methylphenyl)propane-1,2-diol
SMILESCc1cccc([C@@H](O)[C@@H](C)O)c1
InChIInChI=1S/C10H14O2/c1-7-4-3-5-9(6-7)10(12)8(2)11/h3-6,8,10-12H,1-2H3/t8-,10+/m1/s1
InChIKeyOMSYFRNPYYXGBD-SCZZXKLOSA-N
XLogP1.41
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-(3-methylphenyl)propane-1,2-diol?
The IUPAC name of (1R,2R)-1-(3-methylphenyl)propane-1,2-diol (CID 134966873) is (1R,2R)-1-(3-methylphenyl)propane-1,2-diol.
What is the SMILES notation for (1R,2R)-1-(3-methylphenyl)propane-1,2-diol?
The canonical SMILES for (1R,2R)-1-(3-methylphenyl)propane-1,2-diol is Cc1cccc([C@@H](O)[C@@H](C)O)c1.
What is the InChIKey of (1R,2R)-1-(3-methylphenyl)propane-1,2-diol?
The InChIKey is OMSYFRNPYYXGBD-SCZZXKLOSA-N. The full InChI is InChI=1S/C10H14O2/c1-7-4-3-5-9(6-7)10(12)8(2)11/h3-6,8,10-12H,1-2H3/t8-,10+/m1/s1.
What are the key properties of (1R,2R)-1-(3-methylphenyl)propane-1,2-diol?
(1R,2R)-1-(3-methylphenyl)propane-1,2-diol has a molecular weight of 166.22 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-(3-methylphenyl)propane-1,2-diol is sourced from PubChem (CID 134966873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).