1,4-dimethylcyclohexa-2,4-dien-1-ol;2,5-dimethylphenol

C16H22O2 — CID 158515643

IUPAC1,4-dimethylcyclohexa-2,4-dien-1-ol;2,5-dimethylphenol
SMILESCC1=CCC(C)(O)C=C1.Cc1ccc(C)c(O)c1
InChIInChI=1S/C8H12O.C8H10O/c1-7-3-5-8(2,9)6-4-7;1-6-3-4-7(2)8(9)5-6/h3-5,9H,6H2,1-2H3;3-5,9H,1-2H3
InChIKeyHLPAMLCADQOQFN-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.65
Rot. Bonds

About 1,4-dimethylcyclohexa-2,4-dien-1-ol;2,5-dimethylphenol

1,4-dimethylcyclohexa-2,4-dien-1-ol;2,5-dimethylphenol (PubChem CID 158515643) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1,4-dimethylcyclohexa-2,4-dien-1-ol;2,5-dimethylphenol.

Molecular Properties

Compound Name1,4-dimethylcyclohexa-2,4-dien-1-ol;2,5-dimethylphenol
PubChem CID158515643
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name1,4-dimethylcyclohexa-2,4-dien-1-ol;2,5-dimethylphenol
SMILESCC1=CCC(C)(O)C=C1.Cc1ccc(C)c(O)c1
InChIInChI=1S/C8H12O.C8H10O/c1-7-3-5-8(2,9)6-4-7;1-6-3-4-7(2)8(9)5-6/h3-5,9H,6H2,1-2H3;3-5,9H,1-2H3
InChIKeyHLPAMLCADQOQFN-UHFFFAOYSA-N
XLogP3.65
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylcyclohexa-2,4-dien-1-ol;2,5-dimethylphenol?
The IUPAC name of 1,4-dimethylcyclohexa-2,4-dien-1-ol;2,5-dimethylphenol (CID 158515643) is 1,4-dimethylcyclohexa-2,4-dien-1-ol;2,5-dimethylphenol.
What is the SMILES notation for 1,4-dimethylcyclohexa-2,4-dien-1-ol;2,5-dimethylphenol?
The canonical SMILES for 1,4-dimethylcyclohexa-2,4-dien-1-ol;2,5-dimethylphenol is CC1=CCC(C)(O)C=C1.Cc1ccc(C)c(O)c1.
What is the InChIKey of 1,4-dimethylcyclohexa-2,4-dien-1-ol;2,5-dimethylphenol?
The InChIKey is HLPAMLCADQOQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O.C8H10O/c1-7-3-5-8(2,9)6-4-7;1-6-3-4-7(2)8(9)5-6/h3-5,9H,6H2,1-2H3;3-5,9H,1-2H3.
What are the key properties of 1,4-dimethylcyclohexa-2,4-dien-1-ol;2,5-dimethylphenol?
1,4-dimethylcyclohexa-2,4-dien-1-ol;2,5-dimethylphenol has a molecular weight of 246.35 g/mol, XLogP of 3.65, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylcyclohexa-2,4-dien-1-ol;2,5-dimethylphenol is sourced from PubChem (CID 158515643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).