2-(3,4-dimethoxy-5-methylphenyl)ethanol

C11H16O3 — CID 117286355

IUPAC2-(3,4-dimethoxy-5-methylphenyl)ethanol
SMILESCOc1cc(CCO)cc(C)c1OC
InChIInChI=1S/C11H16O3/c1-8-6-9(4-5-12)7-10(13-2)11(8)14-3/h6-7,12H,4-5H2,1-3H3
InChIKeyPTAZOQVVQRCRFA-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.55
Rot. Bonds4

About 2-(3,4-dimethoxy-5-methylphenyl)ethanol

2-(3,4-dimethoxy-5-methylphenyl)ethanol (PubChem CID 117286355) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(3,4-dimethoxy-5-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(3,4-dimethoxy-5-methylphenyl)ethanol
PubChem CID117286355
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name2-(3,4-dimethoxy-5-methylphenyl)ethanol
SMILESCOc1cc(CCO)cc(C)c1OC
InChIInChI=1S/C11H16O3/c1-8-6-9(4-5-12)7-10(13-2)11(8)14-3/h6-7,12H,4-5H2,1-3H3
InChIKeyPTAZOQVVQRCRFA-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-dimethoxy-3-methyl-5-propylbenzene;ethane
CID 142056687
2-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]ethanol
CID 117378332
(2S)-2-amino-3-(3,4-dimethoxy-5-methylphenyl)propan-1-ol
CID 141408194
2-(3,4-dimethoxy-5-methylphenyl)acetic acid
CID 70527445
2-(4-ethoxy-3,5-dimethylphenyl)ethanol
CID 91657255
3-(4-fluoro-3-methoxy-5-methylphenyl)propan-1-ol
CID 117287894
2-[4-methoxy-3,5-di(propan-2-yl)phenyl]ethanol
CID 117345630
5-(2-hydroxyethyl)-2-methoxyphenol;2-(4-methoxy-3-methylphenyl)ethanol
CID 167594575
[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]methanol
CID 115229389
[3-methoxy-5-methyl-4-(3-methylbut-2-enoxy)phenyl]methanol;2-[4-(3-methylbut-2-enoxy)phenyl]ethanol
CID 145196302
2-(3,4,5-trimethoxyphenyl)ethylsilane
CID 175460216
2-(3,4,5-trimethoxyphenyl)ethylazanium
CID 6918993

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxy-5-methylphenyl)ethanol?
The IUPAC name of 2-(3,4-dimethoxy-5-methylphenyl)ethanol (CID 117286355) is 2-(3,4-dimethoxy-5-methylphenyl)ethanol.
What is the SMILES notation for 2-(3,4-dimethoxy-5-methylphenyl)ethanol?
The canonical SMILES for 2-(3,4-dimethoxy-5-methylphenyl)ethanol is COc1cc(CCO)cc(C)c1OC.
What is the InChIKey of 2-(3,4-dimethoxy-5-methylphenyl)ethanol?
The InChIKey is PTAZOQVVQRCRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-8-6-9(4-5-12)7-10(13-2)11(8)14-3/h6-7,12H,4-5H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxy-5-methylphenyl)ethanol?
2-(3,4-dimethoxy-5-methylphenyl)ethanol has a molecular weight of 196.25 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxy-5-methylphenyl)ethanol is sourced from PubChem (CID 117286355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).