2-ethyl-1-(4-methoxyphenyl)butane-1,2-diol

C13H20O3 — CID 103449306

IUPAC2-ethyl-1-(4-methoxyphenyl)butane-1,2-diol
SMILESCCC(O)(CC)C(O)c1ccc(OC)cc1
InChIInChI=1S/C13H20O3/c1-4-13(15,5-2)12(14)10-6-8-11(16-3)9-7-10/h6-9,12,14-15H,4-5H2,1-3H3
InChIKeyWHXINAFKGDBKFG-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.28
Rot. Bonds5

About 2-ethyl-1-(4-methoxyphenyl)butane-1,2-diol

2-ethyl-1-(4-methoxyphenyl)butane-1,2-diol (PubChem CID 103449306) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-ethyl-1-(4-methoxyphenyl)butane-1,2-diol.

Molecular Properties

Compound Name2-ethyl-1-(4-methoxyphenyl)butane-1,2-diol
PubChem CID103449306
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name2-ethyl-1-(4-methoxyphenyl)butane-1,2-diol
SMILESCCC(O)(CC)C(O)c1ccc(OC)cc1
InChIInChI=1S/C13H20O3/c1-4-13(15,5-2)12(14)10-6-8-11(16-3)9-7-10/h6-9,12,14-15H,4-5H2,1-3H3
InChIKeyWHXINAFKGDBKFG-UHFFFAOYSA-N
XLogP2.28
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-1-(4-methoxyphenyl)-2-methylpropan-1-ol
CID 12658876
3-ethyl-1-(4-methoxyphenyl)pentan-1-ol
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1-(dimethylamino)-3-ethyl-2-(4-methoxyphenyl)heptan-3-ol
CID 143436488
2-(4-methoxyphenyl)butan-2-ol
CID 10307904
1-(4-methoxyphenyl)(213C)ethane-1,2-diol
CID 101170566
1-(4-methoxyphenyl)pentan-1-ol
CID 10176510
1-(3,3-dimethylpentan-2-yl)-4-methoxybenzene
CID 173309676
CID 175713586
CID 175713586
chloro-(4-methoxyphenyl)methanol
CID 130923369
3-hydroxy-2-(4-methoxyphenyl)-3-propylhexanenitrile
CID 143207449
2-chloro-1-(4-methoxyphenyl)ethanol
CID 12862876
(1S)-1-(4-methoxyphenyl)hexan-1-ol
CID 102325483

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-methoxyphenyl)butane-1,2-diol?
The IUPAC name of 2-ethyl-1-(4-methoxyphenyl)butane-1,2-diol (CID 103449306) is 2-ethyl-1-(4-methoxyphenyl)butane-1,2-diol.
What is the SMILES notation for 2-ethyl-1-(4-methoxyphenyl)butane-1,2-diol?
The canonical SMILES for 2-ethyl-1-(4-methoxyphenyl)butane-1,2-diol is CCC(O)(CC)C(O)c1ccc(OC)cc1.
What is the InChIKey of 2-ethyl-1-(4-methoxyphenyl)butane-1,2-diol?
The InChIKey is WHXINAFKGDBKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-4-13(15,5-2)12(14)10-6-8-11(16-3)9-7-10/h6-9,12,14-15H,4-5H2,1-3H3.
What are the key properties of 2-ethyl-1-(4-methoxyphenyl)butane-1,2-diol?
2-ethyl-1-(4-methoxyphenyl)butane-1,2-diol has a molecular weight of 224.30 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-methoxyphenyl)butane-1,2-diol is sourced from PubChem (CID 103449306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).