2-(2-hydroxyphenoxy)-3,4-dimethylphenol

C14H14O3 — CID 175742174

IUPAC2-(2-hydroxyphenoxy)-3,4-dimethylphenol
SMILESCc1ccc(O)c(Oc2ccccc2O)c1C
InChIInChI=1S/C14H14O3/c1-9-7-8-12(16)14(10(9)2)17-13-6-4-3-5-11(13)15/h3-8,15-16H,1-2H3
InChIKeyITQJIRNLVQQZGH-UHFFFAOYSA-N
MW230.26 g/mol
LogP3.51
Rot. Bonds2

About 2-(2-hydroxyphenoxy)-3,4-dimethylphenol

2-(2-hydroxyphenoxy)-3,4-dimethylphenol (PubChem CID 175742174) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-(2-hydroxyphenoxy)-3,4-dimethylphenol.

Molecular Properties

Compound Name2-(2-hydroxyphenoxy)-3,4-dimethylphenol
PubChem CID175742174
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name2-(2-hydroxyphenoxy)-3,4-dimethylphenol
SMILESCc1ccc(O)c(Oc2ccccc2O)c1C
InChIInChI=1S/C14H14O3/c1-9-7-8-12(16)14(10(9)2)17-13-6-4-3-5-11(13)15/h3-8,15-16H,1-2H3
InChIKeyITQJIRNLVQQZGH-UHFFFAOYSA-N
XLogP3.51
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenoxy)-3,4-dimethylphenol?
The IUPAC name of 2-(2-hydroxyphenoxy)-3,4-dimethylphenol (CID 175742174) is 2-(2-hydroxyphenoxy)-3,4-dimethylphenol.
What is the SMILES notation for 2-(2-hydroxyphenoxy)-3,4-dimethylphenol?
The canonical SMILES for 2-(2-hydroxyphenoxy)-3,4-dimethylphenol is Cc1ccc(O)c(Oc2ccccc2O)c1C.
What is the InChIKey of 2-(2-hydroxyphenoxy)-3,4-dimethylphenol?
The InChIKey is ITQJIRNLVQQZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-9-7-8-12(16)14(10(9)2)17-13-6-4-3-5-11(13)15/h3-8,15-16H,1-2H3.
What are the key properties of 2-(2-hydroxyphenoxy)-3,4-dimethylphenol?
2-(2-hydroxyphenoxy)-3,4-dimethylphenol has a molecular weight of 230.26 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenoxy)-3,4-dimethylphenol is sourced from PubChem (CID 175742174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).