1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diol

C11H16O3 — CID 82281981

IUPAC1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diol
SMILESCOc1ccc(C(O)CO)c(C)c1C
InChIInChI=1S/C11H16O3/c1-7-8(2)11(14-3)5-4-9(7)10(13)6-12/h4-5,10,12-13H,6H2,1-3H3
InChIKeyHACREYUILUQQKX-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.34
Rot. Bonds3

About 1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diol

1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diol (PubChem CID 82281981) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diol
PubChem CID82281981
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diol
SMILESCOc1ccc(C(O)CO)c(C)c1C
InChIInChI=1S/C11H16O3/c1-7-8(2)11(14-3)5-4-9(7)10(13)6-12/h4-5,10,12-13H,6H2,1-3H3
InChIKeyHACREYUILUQQKX-UHFFFAOYSA-N
XLogP1.34
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxy-2,3-dimethylphenyl)propan-1-ol
CID 117284779
2-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-ol
CID 116964236
(1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol
CID 51666215
1-(3,4-dimethoxy-2-methylphenyl)-2-(methylamino)ethanol
CID 117323942
1-(4-methoxy-2,3-dimethylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 116945772
1-methoxy-4-[(4-methoxy-2,3-dimethylphenyl)-(2-methoxyphenyl)methyl]-2,3-dimethylbenzene
CID 58297984
1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethylethanamine
CID 116914636
2-(3,6-dimethoxy-2-methylphenyl)propan-1-ol
CID 117300482
1-amino-1-(4-methoxy-2,3-dimethylphenyl)-2-methylpropan-2-ol
CID 116942110
1-(4-methoxy-2,3-dimethylphenyl)-2-methylsulfanylethanamine
CID 116830301
2-(4-methoxy-2,3-dimethylphenyl)butan-1-amine
CID 82492421
[1-[(4-methoxy-2,3-dimethylphenyl)-(methylamino)methyl]cyclopropyl]methanol
CID 116958294

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diol?
The IUPAC name of 1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diol (CID 82281981) is 1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diol.
What is the SMILES notation for 1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diol?
The canonical SMILES for 1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diol is COc1ccc(C(O)CO)c(C)c1C.
What is the InChIKey of 1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diol?
The InChIKey is HACREYUILUQQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-7-8(2)11(14-3)5-4-9(7)10(13)6-12/h4-5,10,12-13H,6H2,1-3H3.
What are the key properties of 1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diol?
1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diol has a molecular weight of 196.25 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diol is sourced from PubChem (CID 82281981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).