(2R)-4-[(4-methoxyphenyl)methoxy]butane-1,2-diol

C12H18O4 — CID 44629947

IUPAC(2R)-4-[(4-methoxyphenyl)methoxy]butane-1,2-diol
SMILESCOc1ccc(COCC[C@@H](O)CO)cc1
InChIInChI=1S/C12H18O4/c1-15-12-4-2-10(3-5-12)9-16-7-6-11(14)8-13/h2-5,11,13-14H,6-9H2,1H3/t11-/m1/s1
InChIKeyYRHIJTKHDXQBLC-LLVKDONJSA-N
MW226.27 g/mol
LogP0.96
Rot. Bonds7

About (2R)-4-[(4-methoxyphenyl)methoxy]butane-1,2-diol

(2R)-4-[(4-methoxyphenyl)methoxy]butane-1,2-diol (PubChem CID 44629947) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is (2R)-4-[(4-methoxyphenyl)methoxy]butane-1,2-diol.

Molecular Properties

Compound Name(2R)-4-[(4-methoxyphenyl)methoxy]butane-1,2-diol
PubChem CID44629947
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name(2R)-4-[(4-methoxyphenyl)methoxy]butane-1,2-diol
SMILESCOc1ccc(COCC[C@@H](O)CO)cc1
InChIInChI=1S/C12H18O4/c1-15-12-4-2-10(3-5-12)9-16-7-6-11(14)8-13/h2-5,11,13-14H,6-9H2,1H3/t11-/m1/s1
InChIKeyYRHIJTKHDXQBLC-LLVKDONJSA-N
XLogP0.96
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,4-bis[(4-methoxyphenyl)methoxy]butan-2-ol
CID 14814213
(3S,4S)-1,6-bis[(4-methoxyphenyl)methoxy]hexane-3,4-diol
CID 10894444
(3R)-1-[(4-methoxyphenyl)methoxy]hex-5-yn-3-ol
CID 11042667
(3S)-1-[(4-methoxyphenyl)methoxy]hex-5-en-3-ol
CID 46900175
(3S)-1-[(4-methoxyphenyl)methoxy]-5-phenylpentan-3-ol
CID 20758158
5-[(4-methoxyphenyl)methoxy]-2-[3-[(4-methoxyphenyl)methoxy]propyl]pentan-1-ol
CID 11025823
2-[3-[(4-methoxyphenyl)methoxy]propyl]propane-1,3-diol
CID 24742721
(3S)-5-[(4-methoxyphenyl)methoxy]pent-1-yn-3-ol
CID 10878674
(2R,5S)-5-[(4-methoxyphenyl)methoxy]hexane-1,2-diol
CID 24938597
(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4-methoxyphenyl)methoxy]hexane-1,2-diol
CID 46211134
4-[(4-methoxyphenyl)methoxy]butane-1,3-diol
CID 44629983
1-(4-methoxyphenoxy)-6-[(4-methoxyphenyl)methoxy]hexan-2-ol
CID 10970441

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(4-methoxyphenyl)methoxy]butane-1,2-diol?
The IUPAC name of (2R)-4-[(4-methoxyphenyl)methoxy]butane-1,2-diol (CID 44629947) is (2R)-4-[(4-methoxyphenyl)methoxy]butane-1,2-diol.
What is the SMILES notation for (2R)-4-[(4-methoxyphenyl)methoxy]butane-1,2-diol?
The canonical SMILES for (2R)-4-[(4-methoxyphenyl)methoxy]butane-1,2-diol is COc1ccc(COCC[C@@H](O)CO)cc1.
What is the InChIKey of (2R)-4-[(4-methoxyphenyl)methoxy]butane-1,2-diol?
The InChIKey is YRHIJTKHDXQBLC-LLVKDONJSA-N. The full InChI is InChI=1S/C12H18O4/c1-15-12-4-2-10(3-5-12)9-16-7-6-11(14)8-13/h2-5,11,13-14H,6-9H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-4-[(4-methoxyphenyl)methoxy]butane-1,2-diol?
(2R)-4-[(4-methoxyphenyl)methoxy]butane-1,2-diol has a molecular weight of 226.27 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(4-methoxyphenyl)methoxy]butane-1,2-diol is sourced from PubChem (CID 44629947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).