(2S,4R)-2-methyl-4-phenylpentan-1-ol

C12H18O — CID 11446669

IUPAC(2S,4R)-2-methyl-4-phenylpentan-1-ol
SMILESC[C@H](CO)C[C@@H](C)c1ccccc1
InChIInChI=1S/C12H18O/c1-10(9-13)8-11(2)12-6-4-3-5-7-12/h3-7,10-11,13H,8-9H2,1-2H3/t10-,11+/m0/s1
InChIKeySXGYZCMGVZKIPJ-WDEREUQCSA-N
MW178.28 g/mol
LogP2.81
Rot. Bonds4

About (2S,4R)-2-methyl-4-phenylpentan-1-ol

(2S,4R)-2-methyl-4-phenylpentan-1-ol (PubChem CID 11446669) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is (2S,4R)-2-methyl-4-phenylpentan-1-ol.

Molecular Properties

Compound Name(2S,4R)-2-methyl-4-phenylpentan-1-ol
PubChem CID11446669
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Name(2S,4R)-2-methyl-4-phenylpentan-1-ol
SMILESC[C@H](CO)C[C@@H](C)c1ccccc1
InChIInChI=1S/C12H18O/c1-10(9-13)8-11(2)12-6-4-3-5-7-12/h3-7,10-11,13H,8-9H2,1-2H3/t10-,11+/m0/s1
InChIKeySXGYZCMGVZKIPJ-WDEREUQCSA-N
XLogP2.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S,4R)-2-methyl-4-phenylpentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-methyl-4-phenylpentan-1-ol?
The IUPAC name of (2S,4R)-2-methyl-4-phenylpentan-1-ol (CID 11446669) is (2S,4R)-2-methyl-4-phenylpentan-1-ol.
What is the SMILES notation for (2S,4R)-2-methyl-4-phenylpentan-1-ol?
The canonical SMILES for (2S,4R)-2-methyl-4-phenylpentan-1-ol is C[C@H](CO)C[C@@H](C)c1ccccc1.
What is the InChIKey of (2S,4R)-2-methyl-4-phenylpentan-1-ol?
The InChIKey is SXGYZCMGVZKIPJ-WDEREUQCSA-N. The full InChI is InChI=1S/C12H18O/c1-10(9-13)8-11(2)12-6-4-3-5-7-12/h3-7,10-11,13H,8-9H2,1-2H3/t10-,11+/m0/s1.
What are the key properties of (2S,4R)-2-methyl-4-phenylpentan-1-ol?
(2S,4R)-2-methyl-4-phenylpentan-1-ol has a molecular weight of 178.28 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-methyl-4-phenylpentan-1-ol is sourced from PubChem (CID 11446669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).