1-(2-methoxyphenyl)butane-1,2,4-triol

C11H16O4 — CID 171871923

IUPAC1-(2-methoxyphenyl)butane-1,2,4-triol
SMILESCOc1ccccc1C(O)C(O)CCO
InChIInChI=1S/C11H16O4/c1-15-10-5-3-2-4-8(10)11(14)9(13)6-7-12/h2-5,9,11-14H,6-7H2,1H3
InChIKeyVCOQNTLDOCORHP-UHFFFAOYSA-N
MW212.24 g/mol
LogP0.47
Rot. Bonds5

About 1-(2-methoxyphenyl)butane-1,2,4-triol

1-(2-methoxyphenyl)butane-1,2,4-triol (PubChem CID 171871923) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)butane-1,2,4-triol.

Molecular Properties

Compound Name1-(2-methoxyphenyl)butane-1,2,4-triol
PubChem CID171871923
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name1-(2-methoxyphenyl)butane-1,2,4-triol
SMILESCOc1ccccc1C(O)C(O)CCO
InChIInChI=1S/C11H16O4/c1-15-10-5-3-2-4-8(10)11(14)9(13)6-7-12/h2-5,9,11-14H,6-7H2,1H3
InChIKeyVCOQNTLDOCORHP-UHFFFAOYSA-N
XLogP0.47
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxyphenyl)pentane-1,5-diol
CID 51050570
S-[3,4-dihydroxy-4-(2-methoxyphenyl)butyl] ethanethioate
CID 171875507
(1S,2R)-2-amino-1-(2-methoxyphenyl)propan-1-ol
CID 15671931
4-methoxy-3-(1,2,4-trihydroxybutyl)benzonitrile
CID 171872790
methyl 2-[2-(1,2,4-trihydroxybutyl)phenyl]acetate
CID 171872872
1-[2-(2-hydroxyethyl)phenyl]butane-1,2,4-triol
CID 171872248
1-(2-fluoro-3-methoxyphenyl)pentane-1,2-diol
CID 103454923
1-(2-propan-2-yloxyphenyl)pentane-1,2-diol
CID 103454765
1-(2-amino-3-methoxyphenyl)propane-1,3-diol
CID 105450647
1-(2-fluoro-3-methoxyphenyl)propane-1,2,3-triol
CID 170819054
3-amino-1-(2-methoxyphenyl)-2-pyridin-2-ylpropan-1-ol
CID 80527197
1-cyclopropyl-2-(2-methoxyphenyl)ethane-1,2-diol
CID 103456830

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)butane-1,2,4-triol?
The IUPAC name of 1-(2-methoxyphenyl)butane-1,2,4-triol (CID 171871923) is 1-(2-methoxyphenyl)butane-1,2,4-triol.
What is the SMILES notation for 1-(2-methoxyphenyl)butane-1,2,4-triol?
The canonical SMILES for 1-(2-methoxyphenyl)butane-1,2,4-triol is COc1ccccc1C(O)C(O)CCO.
What is the InChIKey of 1-(2-methoxyphenyl)butane-1,2,4-triol?
The InChIKey is VCOQNTLDOCORHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-15-10-5-3-2-4-8(10)11(14)9(13)6-7-12/h2-5,9,11-14H,6-7H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)butane-1,2,4-triol?
1-(2-methoxyphenyl)butane-1,2,4-triol has a molecular weight of 212.24 g/mol, XLogP of 0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)butane-1,2,4-triol is sourced from PubChem (CID 171871923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).