4-[(4-methoxyphenyl)methoxy]butane-1,3-diol

C12H18O4 — CID 44629983

IUPAC4-[(4-methoxyphenyl)methoxy]butane-1,3-diol
SMILESCOc1ccc(COCC(O)CCO)cc1
InChIInChI=1S/C12H18O4/c1-15-12-4-2-10(3-5-12)8-16-9-11(14)6-7-13/h2-5,11,13-14H,6-9H2,1H3
InChIKeyGCVOAHFIFQYCKH-UHFFFAOYSA-N
MW226.27 g/mol
LogP0.96
Rot. Bonds7

About 4-[(4-methoxyphenyl)methoxy]butane-1,3-diol

4-[(4-methoxyphenyl)methoxy]butane-1,3-diol (PubChem CID 44629983) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methoxy]butane-1,3-diol.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methoxy]butane-1,3-diol
PubChem CID44629983
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name4-[(4-methoxyphenyl)methoxy]butane-1,3-diol
SMILESCOc1ccc(COCC(O)CCO)cc1
InChIInChI=1S/C12H18O4/c1-15-12-4-2-10(3-5-12)8-16-9-11(14)6-7-13/h2-5,11,13-14H,6-9H2,1H3
InChIKeyGCVOAHFIFQYCKH-UHFFFAOYSA-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

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Related Compounds

1,4-bis[(4-methoxyphenyl)methoxy]butan-2-ol
CID 14814213
(3S,5R)-6-[(4-methoxyphenyl)methoxy]-3,5-dimethylhexan-1-ol
CID 11219333
(2S)-1-[(4-methoxyphenyl)methoxy]hept-6-yn-2-ol
CID 25195009
4-[[4-(2-hydroxy-3-phenylmethoxypropoxy)phenyl]methoxy]butane-1,3-diol
CID 138539275
(2S)-1-[2-hydroxyethyl(propyl)amino]-3-[(4-methoxyphenyl)methoxy]propan-2-ol
CID 95232031
(2R)-4-[(4-methoxyphenyl)methoxy]butane-1,2-diol
CID 44629947
1-(4-methoxyphenoxy)-6-[(4-methoxyphenyl)methoxy]hexan-2-ol
CID 10970441
(3S,4S)-1,6-bis[(4-methoxyphenyl)methoxy]hexane-3,4-diol
CID 10894444
(2R,3S)-1-[(4-methoxyphenyl)methoxy]-4-(naphthalen-2-ylmethoxy)butane-2,3-diol
CID 100966821
(2R,4R,5R)-5,8-dihydroxy-1-[(4-methoxyphenyl)methoxy]-2,4-dimethyloctan-3-one
CID 101074120
(2R)-2-[(4-methoxyphenyl)methoxymethyl]hexan-1-ol
CID 101173431
(3R,4S)-6-[(4-methoxyphenyl)methoxy]-2,3,4-trimethylhexane-1,5-diol
CID 90293150

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methoxy]butane-1,3-diol?
The IUPAC name of 4-[(4-methoxyphenyl)methoxy]butane-1,3-diol (CID 44629983) is 4-[(4-methoxyphenyl)methoxy]butane-1,3-diol.
What is the SMILES notation for 4-[(4-methoxyphenyl)methoxy]butane-1,3-diol?
The canonical SMILES for 4-[(4-methoxyphenyl)methoxy]butane-1,3-diol is COc1ccc(COCC(O)CCO)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methoxy]butane-1,3-diol?
The InChIKey is GCVOAHFIFQYCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4/c1-15-12-4-2-10(3-5-12)8-16-9-11(14)6-7-13/h2-5,11,13-14H,6-9H2,1H3.
What are the key properties of 4-[(4-methoxyphenyl)methoxy]butane-1,3-diol?
4-[(4-methoxyphenyl)methoxy]butane-1,3-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 4-[(4-methoxyphenyl)methoxy]butane-1,3-diol is sourced from PubChem (CID 44629983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).