(3,5-dimethylcyclohex-3-en-1-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol

C17H21F3O — CID 103277723

IUPAC(3,5-dimethylcyclohex-3-en-1-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
SMILESCC1=CC(C)CC(C(O)c2ccc(C(F)(F)F)cc2C)C1
InChIInChI=1S/C17H21F3O/c1-10-6-11(2)8-13(7-10)16(21)15-5-4-14(9-12(15)3)17(18,19)20/h4-6,9-10,13,16,21H,7-8H2,1-3H3
InChIKeyPHERAEPZTYBZGG-UHFFFAOYSA-N
MW298.35 g/mol
LogP5.04
Rot. Bonds2

About (3,5-dimethylcyclohex-3-en-1-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol

(3,5-dimethylcyclohex-3-en-1-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol (PubChem CID 103277723) has the molecular formula C17H21F3O and a molecular weight of 298.35 g/mol. Its IUPAC name is (3,5-dimethylcyclohex-3-en-1-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(3,5-dimethylcyclohex-3-en-1-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
PubChem CID103277723
Molecular FormulaC17H21F3O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name(3,5-dimethylcyclohex-3-en-1-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
SMILESCC1=CC(C)CC(C(O)c2ccc(C(F)(F)F)cc2C)C1
InChIInChI=1S/C17H21F3O/c1-10-6-11(2)8-13(7-10)16(21)15-5-4-14(9-12(15)3)17(18,19)20/h4-6,9-10,13,16,21H,7-8H2,1-3H3
InChIKeyPHERAEPZTYBZGG-UHFFFAOYSA-N
XLogP5.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.35
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

cyclobutyl-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102751758
7-bicyclo[4.1.0]heptanyl-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102759206
[2-methyl-4-(trifluoromethyl)phenyl]-piperidin-2-ylmethanol
CID 106634718
1-(3,5-dimethylcyclohex-3-en-1-yl)-2,2-dimethylpropan-1-ol
CID 103277645
(3,5-dimethylcyclohex-3-en-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782312
[2,4-bis(trifluoromethyl)phenyl]-cyclopropylmethanol
CID 139965713
N-[(2-methylcyclopropyl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 102754363
(5-methyloxolan-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758237
[2-methyl-4-(trifluoromethyl)phenyl]-phenylmethanol
CID 102751287
cyclooctyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102754830
(4-fluoro-3-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102751473
cyclohexyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753522

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylcyclohex-3-en-1-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (3,5-dimethylcyclohex-3-en-1-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol (CID 103277723) is (3,5-dimethylcyclohex-3-en-1-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (3,5-dimethylcyclohex-3-en-1-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (3,5-dimethylcyclohex-3-en-1-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol is CC1=CC(C)CC(C(O)c2ccc(C(F)(F)F)cc2C)C1.
What is the InChIKey of (3,5-dimethylcyclohex-3-en-1-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol?
The InChIKey is PHERAEPZTYBZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3O/c1-10-6-11(2)8-13(7-10)16(21)15-5-4-14(9-12(15)3)17(18,19)20/h4-6,9-10,13,16,21H,7-8H2,1-3H3.
What are the key properties of (3,5-dimethylcyclohex-3-en-1-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol?
(3,5-dimethylcyclohex-3-en-1-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol has a molecular weight of 298.35 g/mol, XLogP of 5.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylcyclohex-3-en-1-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 103277723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).