2,3,5-trimethylphenol;2,3,6-trimethylphenol

C18H24O2 — CID 70540570

IUPAC2,3,5-trimethylphenol;2,3,6-trimethylphenol
SMILESCc1cc(C)c(C)c(O)c1.Cc1ccc(C)c(O)c1C
InChIInChI=1S/2C9H12O/c1-6-4-7(2)8(3)9(10)5-6;1-6-4-5-7(2)9(10)8(6)3/h2*4-5,10H,1-3H3
InChIKeyVOLWHSPQMGDYPM-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.63
Rot. Bonds

About 2,3,5-trimethylphenol;2,3,6-trimethylphenol

2,3,5-trimethylphenol;2,3,6-trimethylphenol (PubChem CID 70540570) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2,3,5-trimethylphenol;2,3,6-trimethylphenol.

Molecular Properties

Compound Name2,3,5-trimethylphenol;2,3,6-trimethylphenol
PubChem CID70540570
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name2,3,5-trimethylphenol;2,3,6-trimethylphenol
SMILESCc1cc(C)c(C)c(O)c1.Cc1ccc(C)c(O)c1C
InChIInChI=1S/2C9H12O/c1-6-4-7(2)8(3)9(10)5-6;1-6-4-5-7(2)9(10)8(6)3/h2*4-5,10H,1-3H3
InChIKeyVOLWHSPQMGDYPM-UHFFFAOYSA-N
XLogP4.63
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethylphenol;2,3,6-trimethylphenol?
The IUPAC name of 2,3,5-trimethylphenol;2,3,6-trimethylphenol (CID 70540570) is 2,3,5-trimethylphenol;2,3,6-trimethylphenol.
What is the SMILES notation for 2,3,5-trimethylphenol;2,3,6-trimethylphenol?
The canonical SMILES for 2,3,5-trimethylphenol;2,3,6-trimethylphenol is Cc1cc(C)c(C)c(O)c1.Cc1ccc(C)c(O)c1C.
What is the InChIKey of 2,3,5-trimethylphenol;2,3,6-trimethylphenol?
The InChIKey is VOLWHSPQMGDYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H12O/c1-6-4-7(2)8(3)9(10)5-6;1-6-4-5-7(2)9(10)8(6)3/h2*4-5,10H,1-3H3.
What are the key properties of 2,3,5-trimethylphenol;2,3,6-trimethylphenol?
2,3,5-trimethylphenol;2,3,6-trimethylphenol has a molecular weight of 272.39 g/mol, XLogP of 4.63, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethylphenol;2,3,6-trimethylphenol is sourced from PubChem (CID 70540570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).