(3R,4R)-4-methyl-5-phenylmethoxypentane-1,3-diol

C13H20O3 — CID 101210751

IUPAC(3R,4R)-4-methyl-5-phenylmethoxypentane-1,3-diol
SMILESC[C@H](COCc1ccccc1)[C@H](O)CCO
InChIInChI=1S/C13H20O3/c1-11(13(15)7-8-14)9-16-10-12-5-3-2-4-6-12/h2-6,11,13-15H,7-10H2,1H3/t11-,13-/m1/s1
InChIKeyAYELXLZXGROWSI-DGCLKSJQSA-N
MW224.30 g/mol
LogP1.58
Rot. Bonds7

About (3R,4R)-4-methyl-5-phenylmethoxypentane-1,3-diol

(3R,4R)-4-methyl-5-phenylmethoxypentane-1,3-diol (PubChem CID 101210751) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is (3R,4R)-4-methyl-5-phenylmethoxypentane-1,3-diol.

Molecular Properties

Compound Name(3R,4R)-4-methyl-5-phenylmethoxypentane-1,3-diol
PubChem CID101210751
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name(3R,4R)-4-methyl-5-phenylmethoxypentane-1,3-diol
SMILESC[C@H](COCc1ccccc1)[C@H](O)CCO
InChIInChI=1S/C13H20O3/c1-11(13(15)7-8-14)9-16-10-12-5-3-2-4-6-12/h2-6,11,13-15H,7-10H2,1H3/t11-,13-/m1/s1
InChIKeyAYELXLZXGROWSI-DGCLKSJQSA-N
XLogP1.58
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R,4R)-4-methyl-5-phenylmethoxypentane-1,3-diol with MolForge

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Related Compounds

(2R,3R)-2-methyl-4-phenylmethoxybutane-1,3-diol
CID 13112308
(2S,3R)-2-methyl-5-phenylmethoxypentane-1,3-diol
CID 13113147
(2R,3S,4R)-2,4-dimethyl-1-phenylmethoxyhept-5-yn-3-ol
CID 71414407
(2R,3R,4R,5R)-1,6-bis(phenylmethoxy)hexane-2,3,4,5-tetrol
CID 10713667
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
(2S,3R,4S)-3-hydroxy-2,4-dimethyl-5-phenylmethoxypentanoic acid
CID 102572209
(2R,3R,4S,5S,6R,7R,8R,9R,10S,11S,12R,13R)-2,4,6,8,10,12-hexamethyl-1-phenylmethoxypentadecane-3,5,7,9,11,13-hexol
CID 102331265
(3S,4S,5S,6R)-4,6-dimethyl-10-phenylmethoxydecane-1,3,5-triol
CID 102077009
4-methyl-2-methylidene-5-phenylmethoxypentane-1,3-diol
CID 10513984
(3S,4R,5R,6R)-2,4,6-trimethyl-7-phenylmethoxyhept-1-ene-3,5-diol
CID 23247704
2,3-dimethyl-4-phenylmethoxybutanoic acid
CID 85340536
(4S)-5-phenylmethoxypentane-1,4-diol
CID 13181690

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-methyl-5-phenylmethoxypentane-1,3-diol?
The IUPAC name of (3R,4R)-4-methyl-5-phenylmethoxypentane-1,3-diol (CID 101210751) is (3R,4R)-4-methyl-5-phenylmethoxypentane-1,3-diol.
What is the SMILES notation for (3R,4R)-4-methyl-5-phenylmethoxypentane-1,3-diol?
The canonical SMILES for (3R,4R)-4-methyl-5-phenylmethoxypentane-1,3-diol is C[C@H](COCc1ccccc1)[C@H](O)CCO.
What is the InChIKey of (3R,4R)-4-methyl-5-phenylmethoxypentane-1,3-diol?
The InChIKey is AYELXLZXGROWSI-DGCLKSJQSA-N. The full InChI is InChI=1S/C13H20O3/c1-11(13(15)7-8-14)9-16-10-12-5-3-2-4-6-12/h2-6,11,13-15H,7-10H2,1H3/t11-,13-/m1/s1.
What are the key properties of (3R,4R)-4-methyl-5-phenylmethoxypentane-1,3-diol?
(3R,4R)-4-methyl-5-phenylmethoxypentane-1,3-diol has a molecular weight of 224.30 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-methyl-5-phenylmethoxypentane-1,3-diol is sourced from PubChem (CID 101210751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).