6-(1-hydroxypropan-2-yl)-2,3-dimethoxyphenol

C11H16O4 — CID 117303009

IUPAC6-(1-hydroxypropan-2-yl)-2,3-dimethoxyphenol
SMILESCOc1ccc(C(C)CO)c(O)c1OC
InChIInChI=1S/C11H16O4/c1-7(6-12)8-4-5-9(14-2)11(15-3)10(8)13/h4-5,7,12-13H,6H2,1-3H3
InChIKeyXKLJJMOMVTVANA-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.51
Rot. Bonds4

About 6-(1-hydroxypropan-2-yl)-2,3-dimethoxyphenol

6-(1-hydroxypropan-2-yl)-2,3-dimethoxyphenol (PubChem CID 117303009) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 6-(1-hydroxypropan-2-yl)-2,3-dimethoxyphenol.

Molecular Properties

Compound Name6-(1-hydroxypropan-2-yl)-2,3-dimethoxyphenol
PubChem CID117303009
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name6-(1-hydroxypropan-2-yl)-2,3-dimethoxyphenol
SMILESCOc1ccc(C(C)CO)c(O)c1OC
InChIInChI=1S/C11H16O4/c1-7(6-12)8-4-5-9(14-2)11(15-3)10(8)13/h4-5,7,12-13H,6H2,1-3H3
InChIKeyXKLJJMOMVTVANA-UHFFFAOYSA-N
XLogP1.51
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-6-(1-hydroxypropan-2-yl)-2-methoxyphenol
CID 117308708
2-(4-methoxy-2,3-dimethylphenyl)propan-1-ol
CID 117284779
2-(2,3-dimethoxy-6-propan-2-ylphenyl)propan-1-ol
CID 117349610
6-[(1S)-1,2-diaminoethyl]-2,3-dimethoxyphenol
CID 66516816
2-(5-bromo-2,3-dimethoxyphenyl)propan-1-ol
CID 117439719
2-hydroxy-2-(2-hydroxy-3,4-dimethoxyphenyl)acetic acid
CID 117328303
2-(3-methoxy-2,4-dimethylphenyl)propan-1-ol
CID 117284773
(2R)-2-amino-2-(2,3,4-trimethoxyphenyl)ethanol
CID 42579797
(2,3-dimethoxy-6-propan-2-ylphenyl)methanol
CID 84677822
2-(2-methoxy-4-methylphenyl)propan-1-ol
CID 14432753
2-(4-bromo-2,3-dimethoxyphenyl)propan-1-ol
CID 117439713
2-(5-tert-butyl-2,3-dimethoxyphenyl)propan-1-ol
CID 117384454

Frequently Asked Questions

What is the IUPAC name of 6-(1-hydroxypropan-2-yl)-2,3-dimethoxyphenol?
The IUPAC name of 6-(1-hydroxypropan-2-yl)-2,3-dimethoxyphenol (CID 117303009) is 6-(1-hydroxypropan-2-yl)-2,3-dimethoxyphenol.
What is the SMILES notation for 6-(1-hydroxypropan-2-yl)-2,3-dimethoxyphenol?
The canonical SMILES for 6-(1-hydroxypropan-2-yl)-2,3-dimethoxyphenol is COc1ccc(C(C)CO)c(O)c1OC.
What is the InChIKey of 6-(1-hydroxypropan-2-yl)-2,3-dimethoxyphenol?
The InChIKey is XKLJJMOMVTVANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-7(6-12)8-4-5-9(14-2)11(15-3)10(8)13/h4-5,7,12-13H,6H2,1-3H3.
What are the key properties of 6-(1-hydroxypropan-2-yl)-2,3-dimethoxyphenol?
6-(1-hydroxypropan-2-yl)-2,3-dimethoxyphenol has a molecular weight of 212.24 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-hydroxypropan-2-yl)-2,3-dimethoxyphenol is sourced from PubChem (CID 117303009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).