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

C16H22O2 — CID 159180847

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

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

1,5-dimethylcyclohexa-2,4-dien-1-ol;2,4-dimethylphenol (PubChem CID 159180847) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1,5-dimethylcyclohexa-2,4-dien-1-ol;2,4-dimethylphenol.

Molecular Properties

Compound Name1,5-dimethylcyclohexa-2,4-dien-1-ol;2,4-dimethylphenol
PubChem CID159180847
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name1,5-dimethylcyclohexa-2,4-dien-1-ol;2,4-dimethylphenol
SMILESCC1=CC=CC(C)(O)C1.Cc1ccc(O)c(C)c1
InChIInChI=1S/C8H10O.C8H12O/c1-6-3-4-8(9)7(2)5-6;1-7-4-3-5-8(2,9)6-7/h3-5,9H,1-2H3;3-5,9H,6H2,1-2H3
InChIKeyKMWGLSFRCXEQAW-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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Related Compounds

4-tert-Pentylphenol
CID 6643
P-Cresol
CID 2879
Diethylstilbestrol
CID 448537
O-Cresol
CID 335
Bisphenol A
CID 6623
2,4-Dimethylphenol
CID 7771
2,6-Di-tert-butyl-4-methylphenol
CID 31404
Dienestrol
CID 667476
(1,1'-Biphenyl)-2-ol
CID 7017
Tyrosol
CID 10393
Magnolol
CID 72300
Hexestrol
CID 192197

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethylcyclohexa-2,4-dien-1-ol;2,4-dimethylphenol?
The IUPAC name of 1,5-dimethylcyclohexa-2,4-dien-1-ol;2,4-dimethylphenol (CID 159180847) is 1,5-dimethylcyclohexa-2,4-dien-1-ol;2,4-dimethylphenol.
What is the SMILES notation for 1,5-dimethylcyclohexa-2,4-dien-1-ol;2,4-dimethylphenol?
The canonical SMILES for 1,5-dimethylcyclohexa-2,4-dien-1-ol;2,4-dimethylphenol is CC1=CC=CC(C)(O)C1.Cc1ccc(O)c(C)c1.
What is the InChIKey of 1,5-dimethylcyclohexa-2,4-dien-1-ol;2,4-dimethylphenol?
The InChIKey is KMWGLSFRCXEQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C8H12O/c1-6-3-4-8(9)7(2)5-6;1-7-4-3-5-8(2,9)6-7/h3-5,9H,1-2H3;3-5,9H,6H2,1-2H3.
What are the key properties of 1,5-dimethylcyclohexa-2,4-dien-1-ol;2,4-dimethylphenol?
1,5-dimethylcyclohexa-2,4-dien-1-ol;2,4-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 1,5-dimethylcyclohexa-2,4-dien-1-ol;2,4-dimethylphenol is sourced from PubChem (CID 159180847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).