3-(2-methoxypropoxy)-5-methylphenol

C11H16O3 — CID 107680368

IUPAC3-(2-methoxypropoxy)-5-methylphenol
SMILESCOC(C)COc1cc(C)cc(O)c1
InChIInChI=1S/C11H16O3/c1-8-4-10(12)6-11(5-8)14-7-9(2)13-3/h4-6,9,12H,7H2,1-3H3
InChIKeyCSBHKTVLSOODIG-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.11
Rot. Bonds4

About 3-(2-methoxypropoxy)-5-methylphenol

3-(2-methoxypropoxy)-5-methylphenol (PubChem CID 107680368) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-(2-methoxypropoxy)-5-methylphenol.

Molecular Properties

Compound Name3-(2-methoxypropoxy)-5-methylphenol
PubChem CID107680368
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name3-(2-methoxypropoxy)-5-methylphenol
SMILESCOC(C)COc1cc(C)cc(O)c1
InChIInChI=1S/C11H16O3/c1-8-4-10(12)6-11(5-8)14-7-9(2)13-3/h4-6,9,12H,7H2,1-3H3
InChIKeyCSBHKTVLSOODIG-UHFFFAOYSA-N
XLogP2.11
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-5-(3-methylbutoxy)phenol
CID 103847271
3-(3,3-dimethylbutoxy)-5-methylphenol
CID 107679623
3-methyl-5-prop-2-ynoxyphenol
CID 87477485
3-decoxy-5-methylphenol
CID 107679752
3-[2-(3-methoxypropoxy)ethoxy]-5-methylphenol
CID 107679911
3-[(3,5-dimethylphenoxy)methyl]-5-methoxyphenol
CID 70951574
N-butan-2-yl-2-(3-hydroxy-5-methylphenoxy)acetamide
CID 107680226
2-(3-hydroxy-5-methylphenoxy)-N,N-dimethylacetamide
CID 19856163
3-[(4-tert-butylphenyl)methoxy]-5-methylphenol
CID 107679876
ethyl 2-(3-hydroxy-5-methylphenoxy)acetate
CID 90066634
3-(cyclobutylmethoxy)-5-methylphenol
CID 107679985
methyl 6-[[3-hydroxy-5-[(2S)-2-methoxypropoxy]benzoyl]amino]pyridine-3-carboxylate
CID 67485037

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxypropoxy)-5-methylphenol?
The IUPAC name of 3-(2-methoxypropoxy)-5-methylphenol (CID 107680368) is 3-(2-methoxypropoxy)-5-methylphenol.
What is the SMILES notation for 3-(2-methoxypropoxy)-5-methylphenol?
The canonical SMILES for 3-(2-methoxypropoxy)-5-methylphenol is COC(C)COc1cc(C)cc(O)c1.
What is the InChIKey of 3-(2-methoxypropoxy)-5-methylphenol?
The InChIKey is CSBHKTVLSOODIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-8-4-10(12)6-11(5-8)14-7-9(2)13-3/h4-6,9,12H,7H2,1-3H3.
What are the key properties of 3-(2-methoxypropoxy)-5-methylphenol?
3-(2-methoxypropoxy)-5-methylphenol has a molecular weight of 196.25 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxypropoxy)-5-methylphenol is sourced from PubChem (CID 107680368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).