5-phenylpentane-1,3,4-triol

C11H16O3 — CID 23192783

IUPAC5-phenylpentane-1,3,4-triol
SMILESOCCC(O)C(O)Cc1ccccc1
InChIInChI=1S/C11H16O3/c12-7-6-10(13)11(14)8-9-4-2-1-3-5-9/h1-5,10-14H,6-8H2
InChIKeyNBMFDNRJHLWVHY-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.33
Rot. Bonds5

About 5-phenylpentane-1,3,4-triol

5-phenylpentane-1,3,4-triol (PubChem CID 23192783) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-phenylpentane-1,3,4-triol.

Molecular Properties

Compound Name5-phenylpentane-1,3,4-triol
PubChem CID23192783
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name5-phenylpentane-1,3,4-triol
SMILESOCCC(O)C(O)Cc1ccccc1
InChIInChI=1S/C11H16O3/c12-7-6-10(13)11(14)8-9-4-2-1-3-5-9/h1-5,10-14H,6-8H2
InChIKeyNBMFDNRJHLWVHY-UHFFFAOYSA-N
XLogP0.33
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-phenylpentane-1,3,4-triol 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 5-phenylpentane-1,3,4-triol?
The IUPAC name of 5-phenylpentane-1,3,4-triol (CID 23192783) is 5-phenylpentane-1,3,4-triol.
What is the SMILES notation for 5-phenylpentane-1,3,4-triol?
The canonical SMILES for 5-phenylpentane-1,3,4-triol is OCCC(O)C(O)Cc1ccccc1.
What is the InChIKey of 5-phenylpentane-1,3,4-triol?
The InChIKey is NBMFDNRJHLWVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c12-7-6-10(13)11(14)8-9-4-2-1-3-5-9/h1-5,10-14H,6-8H2.
What are the key properties of 5-phenylpentane-1,3,4-triol?
5-phenylpentane-1,3,4-triol has a molecular weight of 196.25 g/mol, XLogP of 0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylpentane-1,3,4-triol is sourced from PubChem (CID 23192783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).