5-(2-hydroxypropyl)-2,4-dimethoxyphenol

C11H16O4 — CID 117303005

IUPAC5-(2-hydroxypropyl)-2,4-dimethoxyphenol
SMILESCOc1cc(OC)c(CC(C)O)cc1O
InChIInChI=1S/C11H16O4/c1-7(12)4-8-5-9(13)11(15-3)6-10(8)14-2/h5-7,12-13H,4H2,1-3H3
InChIKeyIBGYJKLQQJLUPF-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.33
Rot. Bonds4

About 5-(2-hydroxypropyl)-2,4-dimethoxyphenol

5-(2-hydroxypropyl)-2,4-dimethoxyphenol (PubChem CID 117303005) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 5-(2-hydroxypropyl)-2,4-dimethoxyphenol.

Molecular Properties

Compound Name5-(2-hydroxypropyl)-2,4-dimethoxyphenol
PubChem CID117303005
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name5-(2-hydroxypropyl)-2,4-dimethoxyphenol
SMILESCOc1cc(OC)c(CC(C)O)cc1O
InChIInChI=1S/C11H16O4/c1-7(12)4-8-5-9(13)11(15-3)6-10(8)14-2/h5-7,12-13H,4H2,1-3H3
InChIKeyIBGYJKLQQJLUPF-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-(2-hydroxypropyl)-2-methoxyphenol
CID 117406460
1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]propan-2-ol
CID 117328887
5-fluoro-2-(2-hydroxypropyl)-4-methoxyphenol
CID 117289277
1-(5-chloro-2-methoxy-4-methylphenyl)propan-2-ol
CID 117306080
(2R)-1-(2,4-dimethoxyphenyl)propan-2-ol
CID 75406786
1-(5-ethyl-4-fluoro-2-methoxyphenyl)propan-2-ol
CID 117303123
1-(4-fluoro-2-methoxyphenyl)propan-2-ol
CID 83675442
2-(2-hydroxypropyl)-6-methoxy-4-propan-2-ylphenol
CID 117322314
1-(5-tert-butyl-2-methoxyphenyl)propan-2-ol
CID 117318705
(2R)-1-(2-methoxyphenyl)propan-2-ol
CID 6951555
1-(2-methoxy-4-methylsulfanylphenyl)propan-2-ol
CID 117303281
1-(2,4-difluoro-5-methoxyphenyl)propan-2-ol
CID 117290712

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxypropyl)-2,4-dimethoxyphenol?
The IUPAC name of 5-(2-hydroxypropyl)-2,4-dimethoxyphenol (CID 117303005) is 5-(2-hydroxypropyl)-2,4-dimethoxyphenol.
What is the SMILES notation for 5-(2-hydroxypropyl)-2,4-dimethoxyphenol?
The canonical SMILES for 5-(2-hydroxypropyl)-2,4-dimethoxyphenol is COc1cc(OC)c(CC(C)O)cc1O.
What is the InChIKey of 5-(2-hydroxypropyl)-2,4-dimethoxyphenol?
The InChIKey is IBGYJKLQQJLUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-7(12)4-8-5-9(13)11(15-3)6-10(8)14-2/h5-7,12-13H,4H2,1-3H3.
What are the key properties of 5-(2-hydroxypropyl)-2,4-dimethoxyphenol?
5-(2-hydroxypropyl)-2,4-dimethoxyphenol has a molecular weight of 212.24 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxypropyl)-2,4-dimethoxyphenol is sourced from PubChem (CID 117303005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).