(1R,2R)-2-methyl-1-phenylpropane-1,3-diol

C10H14O2 — CID 11423785

IUPAC(1R,2R)-2-methyl-1-phenylpropane-1,3-diol
SMILESC[C@H](CO)[C@@H](O)c1ccccc1
InChIInChI=1S/C10H14O2/c1-8(7-11)10(12)9-5-3-2-4-6-9/h2-6,8,10-12H,7H2,1H3/t8-,10-/m1/s1
InChIKeyHOZWNKKVYXPKSI-PSASIEDQSA-N
MW166.22 g/mol
LogP1.35
Rot. Bonds3

About (1R,2R)-2-methyl-1-phenylpropane-1,3-diol

(1R,2R)-2-methyl-1-phenylpropane-1,3-diol (PubChem CID 11423785) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (1R,2R)-2-methyl-1-phenylpropane-1,3-diol.

Molecular Properties

Compound Name(1R,2R)-2-methyl-1-phenylpropane-1,3-diol
PubChem CID11423785
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(1R,2R)-2-methyl-1-phenylpropane-1,3-diol
SMILESC[C@H](CO)[C@@H](O)c1ccccc1
InChIInChI=1S/C10H14O2/c1-8(7-11)10(12)9-5-3-2-4-6-9/h2-6,8,10-12H,7H2,1H3/t8-,10-/m1/s1
InChIKeyHOZWNKKVYXPKSI-PSASIEDQSA-N
XLogP1.35
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-methyl-1-phenylpropane-1,3-diol?
The IUPAC name of (1R,2R)-2-methyl-1-phenylpropane-1,3-diol (CID 11423785) is (1R,2R)-2-methyl-1-phenylpropane-1,3-diol.
What is the SMILES notation for (1R,2R)-2-methyl-1-phenylpropane-1,3-diol?
The canonical SMILES for (1R,2R)-2-methyl-1-phenylpropane-1,3-diol is C[C@H](CO)[C@@H](O)c1ccccc1.
What is the InChIKey of (1R,2R)-2-methyl-1-phenylpropane-1,3-diol?
The InChIKey is HOZWNKKVYXPKSI-PSASIEDQSA-N. The full InChI is InChI=1S/C10H14O2/c1-8(7-11)10(12)9-5-3-2-4-6-9/h2-6,8,10-12H,7H2,1H3/t8-,10-/m1/s1.
What are the key properties of (1R,2R)-2-methyl-1-phenylpropane-1,3-diol?
(1R,2R)-2-methyl-1-phenylpropane-1,3-diol has a molecular weight of 166.22 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-methyl-1-phenylpropane-1,3-diol is sourced from PubChem (CID 11423785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).