2,4-diethoxy-3-methylphenol

C11H16O3 — CID 11030728

IUPAC2,4-diethoxy-3-methylphenol
SMILESCCOc1ccc(O)c(OCC)c1C
InChIInChI=1S/C11H16O3/c1-4-13-10-7-6-9(12)11(8(10)3)14-5-2/h6-7,12H,4-5H2,1-3H3
InChIKeyYLTGAQHHAUXWSF-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.50
Rot. Bonds4

About 2,4-diethoxy-3-methylphenol

2,4-diethoxy-3-methylphenol (PubChem CID 11030728) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2,4-diethoxy-3-methylphenol.

Molecular Properties

Compound Name2,4-diethoxy-3-methylphenol
PubChem CID11030728
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name2,4-diethoxy-3-methylphenol
SMILESCCOc1ccc(O)c(OCC)c1C
InChIInChI=1S/C11H16O3/c1-4-13-10-7-6-9(12)11(8(10)3)14-5-2/h6-7,12H,4-5H2,1-3H3
InChIKeyYLTGAQHHAUXWSF-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-2-ethyl-3-methylphenol
CID 162375114
6-ethoxy-2,3-dimethylphenol
CID 119015224
4-ethoxy-2,3-dimethylbenzenesulfonamide
CID 43164397
3-(4-ethoxy-2,3-dimethylphenyl)propanethioamide
CID 83939838
4-ethoxy-1-benzothiophene-2,7-diol
CID 131191647
3-ethoxy-6-hydroxy-2-methoxybenzaldehyde
CID 134891938
3,4,5-triethoxyphenol
CID 19754898
3-ethoxy-2-propoxyphenol
CID 174814735
5-ethoxy-4-methylbenzene-1,3-diol
CID 130032613
4-amino-2-ethoxyphenol
CID 12856010
2-(4-ethoxy-2,3-dimethylphenyl)-1,1,1-trifluorobutan-2-ol
CID 83958906
1-(5-ethoxy-2,4-dimethylindol-1-yl)ethanone
CID 122520582

Frequently Asked Questions

What is the IUPAC name of 2,4-diethoxy-3-methylphenol?
The IUPAC name of 2,4-diethoxy-3-methylphenol (CID 11030728) is 2,4-diethoxy-3-methylphenol.
What is the SMILES notation for 2,4-diethoxy-3-methylphenol?
The canonical SMILES for 2,4-diethoxy-3-methylphenol is CCOc1ccc(O)c(OCC)c1C.
What is the InChIKey of 2,4-diethoxy-3-methylphenol?
The InChIKey is YLTGAQHHAUXWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-4-13-10-7-6-9(12)11(8(10)3)14-5-2/h6-7,12H,4-5H2,1-3H3.
What are the key properties of 2,4-diethoxy-3-methylphenol?
2,4-diethoxy-3-methylphenol has a molecular weight of 196.25 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethoxy-3-methylphenol is sourced from PubChem (CID 11030728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).