2,5-dimethoxy-3,4-dimethylphenol

C10H14O3 — CID 84658444

IUPAC2,5-dimethoxy-3,4-dimethylphenol
SMILESCOc1cc(O)c(OC)c(C)c1C
InChIInChI=1S/C10H14O3/c1-6-7(2)10(13-4)8(11)5-9(6)12-3/h5,11H,1-4H3
InChIKeyDVVIUISEDJEIIB-UHFFFAOYSA-N
MW182.22 g/mol
LogP2.03
Rot. Bonds2

About 2,5-dimethoxy-3,4-dimethylphenol

2,5-dimethoxy-3,4-dimethylphenol (PubChem CID 84658444) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2,5-dimethoxy-3,4-dimethylphenol.

Molecular Properties

Compound Name2,5-dimethoxy-3,4-dimethylphenol
PubChem CID84658444
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name2,5-dimethoxy-3,4-dimethylphenol
SMILESCOc1cc(O)c(OC)c(C)c1C
InChIInChI=1S/C10H14O3/c1-6-7(2)10(13-4)8(11)5-9(6)12-3/h5,11H,1-4H3
InChIKeyDVVIUISEDJEIIB-UHFFFAOYSA-N
XLogP2.03
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethoxy-3-methylbenzene-1,4-diol
CID 118620662
2-fluoro-5-methoxy-3,4-dimethylphenol
CID 10607234
2,3-dimethoxy-5,6-dimethylphenol
CID 53405608
3,5-dimethoxy-2,6-dimethylphenol
CID 25145990
5-(2-amino-1-hydroxyethyl)-2-methoxy-3,4-dimethylphenol
CID 117301752
5-methoxybenzene-1,2,4-triol
CID 20551665
2-methoxy-3,5-dimethylbenzene-1,4-diol;2-methoxy-3,5,6-trimethylbenzene-1,4-diol
CID 19817256
5-bromo-2,3-dimethoxy-4-methylphenol
CID 84705997
2,5-dimethoxy-3,4-dimethylbenzonitrile
CID 117282326
2,4-dichloro-3,5-dimethoxyphenol
CID 154103285
3-(2,5-dimethoxy-3,4-dimethylphenyl)oxetan-3-ol
CID 116873054
2,4-dihydroxy-3,6-dimethoxybenzaldehyde
CID 71365717

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-3,4-dimethylphenol?
The IUPAC name of 2,5-dimethoxy-3,4-dimethylphenol (CID 84658444) is 2,5-dimethoxy-3,4-dimethylphenol.
What is the SMILES notation for 2,5-dimethoxy-3,4-dimethylphenol?
The canonical SMILES for 2,5-dimethoxy-3,4-dimethylphenol is COc1cc(O)c(OC)c(C)c1C.
What is the InChIKey of 2,5-dimethoxy-3,4-dimethylphenol?
The InChIKey is DVVIUISEDJEIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-6-7(2)10(13-4)8(11)5-9(6)12-3/h5,11H,1-4H3.
What are the key properties of 2,5-dimethoxy-3,4-dimethylphenol?
2,5-dimethoxy-3,4-dimethylphenol has a molecular weight of 182.22 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-3,4-dimethylphenol is sourced from PubChem (CID 84658444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).