(2R,3R)-3-phenyl-2-propylpentane-1,5-diol

C14H22O2 — CID 135006728

IUPAC(2R,3R)-3-phenyl-2-propylpentane-1,5-diol
SMILESCCC[C@@H](CO)[C@@H](CCO)c1ccccc1
InChIInChI=1S/C14H22O2/c1-2-6-13(11-16)14(9-10-15)12-7-4-3-5-8-12/h3-5,7-8,13-16H,2,6,9-11H2,1H3/t13-,14-/m0/s1
InChIKeyGQWIEMOLMFALHP-KBPBESRZSA-N
MW222.33 g/mol
LogP2.56
Rot. Bonds7

About (2R,3R)-3-phenyl-2-propylpentane-1,5-diol

(2R,3R)-3-phenyl-2-propylpentane-1,5-diol (PubChem CID 135006728) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is (2R,3R)-3-phenyl-2-propylpentane-1,5-diol.

Molecular Properties

Compound Name(2R,3R)-3-phenyl-2-propylpentane-1,5-diol
PubChem CID135006728
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name(2R,3R)-3-phenyl-2-propylpentane-1,5-diol
SMILESCCC[C@@H](CO)[C@@H](CCO)c1ccccc1
InChIInChI=1S/C14H22O2/c1-2-6-13(11-16)14(9-10-15)12-7-4-3-5-8-12/h3-5,7-8,13-16H,2,6,9-11H2,1H3/t13-,14-/m0/s1
InChIKeyGQWIEMOLMFALHP-KBPBESRZSA-N
XLogP2.56
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R,3R)-3-phenyl-2-propylpentane-1,5-diol with MolForge

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

Launch Full Analysis

Related Compounds

(2R,3R)-2,3-diphenylpentane-1,5-diol
CID 102125969
3-phenylhexane-1,2-diol
CID 139772655
4-ethylnonan-5-ylbenzene
CID 173025957
1-phenyl-2-propylpentan-1-ol
CID 82987900
(1R,2R)-1,2-diphenylpentan-1-ol
CID 102474717
(1S,2S)-2-(hydroxymethyl)-1-phenylpentane-1,5-diol
CID 10774811
5-fluorooctan-4-ylbenzene
CID 173060835
3-phenyl-4-(sulfanylmethoxy)pentan-1-ol
CID 161199778
2-ethyl-4-hydroxy-3-phenylbutanoic acid
CID 57232329
(2S)-2-phenyl-2-(1-phenylbutylamino)ethanol
CID 103783978
5-methyl-3-phenyloctan-4-ol
CID 107894691
2-(heptan-4-ylamino)-2-phenylethanol
CID 55160187

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-phenyl-2-propylpentane-1,5-diol?
The IUPAC name of (2R,3R)-3-phenyl-2-propylpentane-1,5-diol (CID 135006728) is (2R,3R)-3-phenyl-2-propylpentane-1,5-diol.
What is the SMILES notation for (2R,3R)-3-phenyl-2-propylpentane-1,5-diol?
The canonical SMILES for (2R,3R)-3-phenyl-2-propylpentane-1,5-diol is CCC[C@@H](CO)[C@@H](CCO)c1ccccc1.
What is the InChIKey of (2R,3R)-3-phenyl-2-propylpentane-1,5-diol?
The InChIKey is GQWIEMOLMFALHP-KBPBESRZSA-N. The full InChI is InChI=1S/C14H22O2/c1-2-6-13(11-16)14(9-10-15)12-7-4-3-5-8-12/h3-5,7-8,13-16H,2,6,9-11H2,1H3/t13-,14-/m0/s1.
What are the key properties of (2R,3R)-3-phenyl-2-propylpentane-1,5-diol?
(2R,3R)-3-phenyl-2-propylpentane-1,5-diol has a molecular weight of 222.33 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-phenyl-2-propylpentane-1,5-diol is sourced from PubChem (CID 135006728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).