(2R,3R)-3-methyl-5-phenylpentane-1,2-diol

C12H18O2 — CID 11063306

IUPAC(2R,3R)-3-methyl-5-phenylpentane-1,2-diol
SMILESC[C@H](CCc1ccccc1)[C@@H](O)CO
InChIInChI=1S/C12H18O2/c1-10(12(14)9-13)7-8-11-5-3-2-4-6-11/h2-6,10,12-14H,7-9H2,1H3/t10-,12+/m1/s1
InChIKeyDXIOKTZGODLMSR-PWSUYJOCSA-N
MW194.27 g/mol
LogP1.61
Rot. Bonds5

About (2R,3R)-3-methyl-5-phenylpentane-1,2-diol

(2R,3R)-3-methyl-5-phenylpentane-1,2-diol (PubChem CID 11063306) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (2R,3R)-3-methyl-5-phenylpentane-1,2-diol.

Molecular Properties

Compound Name(2R,3R)-3-methyl-5-phenylpentane-1,2-diol
PubChem CID11063306
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(2R,3R)-3-methyl-5-phenylpentane-1,2-diol
SMILESC[C@H](CCc1ccccc1)[C@@H](O)CO
InChIInChI=1S/C12H18O2/c1-10(12(14)9-13)7-8-11-5-3-2-4-6-11/h2-6,10,12-14H,7-9H2,1H3/t10-,12+/m1/s1
InChIKeyDXIOKTZGODLMSR-PWSUYJOCSA-N
XLogP1.61
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-methyl-5-phenylpentane-1,2-diol?
The IUPAC name of (2R,3R)-3-methyl-5-phenylpentane-1,2-diol (CID 11063306) is (2R,3R)-3-methyl-5-phenylpentane-1,2-diol.
What is the SMILES notation for (2R,3R)-3-methyl-5-phenylpentane-1,2-diol?
The canonical SMILES for (2R,3R)-3-methyl-5-phenylpentane-1,2-diol is C[C@H](CCc1ccccc1)[C@@H](O)CO.
What is the InChIKey of (2R,3R)-3-methyl-5-phenylpentane-1,2-diol?
The InChIKey is DXIOKTZGODLMSR-PWSUYJOCSA-N. The full InChI is InChI=1S/C12H18O2/c1-10(12(14)9-13)7-8-11-5-3-2-4-6-11/h2-6,10,12-14H,7-9H2,1H3/t10-,12+/m1/s1.
What are the key properties of (2R,3R)-3-methyl-5-phenylpentane-1,2-diol?
(2R,3R)-3-methyl-5-phenylpentane-1,2-diol has a molecular weight of 194.27 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-methyl-5-phenylpentane-1,2-diol is sourced from PubChem (CID 11063306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).