[3,5-dimethyl-4-phenyl-1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol

C16H17F3O — CID 174567095

IUPAC[3,5-dimethyl-4-phenyl-1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol
SMILESCC1=CC(CO)(C(F)(F)F)CC(C)=C1c1ccccc1
InChIInChI=1S/C16H17F3O/c1-11-8-15(10-20,16(17,18)19)9-12(2)14(11)13-6-4-3-5-7-13/h3-8,20H,9-10H2,1-2H3
InChIKeyNVQHTAZAOXLMCW-UHFFFAOYSA-N
MW282.30 g/mol
LogP4.35
Rot. Bonds2

About [3,5-dimethyl-4-phenyl-1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol

[3,5-dimethyl-4-phenyl-1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol (PubChem CID 174567095) has the molecular formula C16H17F3O and a molecular weight of 282.30 g/mol. Its IUPAC name is [3,5-dimethyl-4-phenyl-1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol.

Molecular Properties

Compound Name[3,5-dimethyl-4-phenyl-1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol
PubChem CID174567095
Molecular FormulaC16H17F3O
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name[3,5-dimethyl-4-phenyl-1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol
SMILESCC1=CC(CO)(C(F)(F)F)CC(C)=C1c1ccccc1
InChIInChI=1S/C16H17F3O/c1-11-8-15(10-20,16(17,18)19)9-12(2)14(11)13-6-4-3-5-7-13/h3-8,20H,9-10H2,1-2H3
InChIKeyNVQHTAZAOXLMCW-UHFFFAOYSA-N
XLogP4.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,3,5-trimethyl-4-phenylcyclohexa-2,4-dien-1-amine
CID 67798807
methyl 3-[[5-[4-[[3,5-dimethyl-4-phenyl-1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxymethyl]heptan-4-yl]thiophene-2-carbonyl]amino]propanoate
CID 154369654
(5S)-5-ethyl-5-hydroxy-3-methyl-2-phenylcyclopent-2-en-1-one
CID 132501242
1,1'-biphenyl;1,1,1,3,3,3-hexafluoropropane
CID 160611657
5-bromo-1-(hydroxymethyl)-3-iodo-4-phenylcyclohexa-2,4-dien-1-ol
CID 67678619
5-methyl-2-methylidene-3-phenyl-6-prop-1-en-2-yl-1H-pyridin-4-amine
CID 166766075
toluene;2,2,2-trifluoroethanol
CID 67743203
1,1'-biphenyl;methanol;propane
CID 91033003
benzene;1,1'-biphenyl;ethane
CID 158550617
(2-ethyl-4-methyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene
CID 139667594
1,1'-biphenyl;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium
CID 173272324
(4S,7S)-4,7-dihydroxy-1,3-diphenyl-4,5,6,7-tetrahydroinden-2-one
CID 132917425

Frequently Asked Questions

What is the IUPAC name of [3,5-dimethyl-4-phenyl-1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol?
The IUPAC name of [3,5-dimethyl-4-phenyl-1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol (CID 174567095) is [3,5-dimethyl-4-phenyl-1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol.
What is the SMILES notation for [3,5-dimethyl-4-phenyl-1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol?
The canonical SMILES for [3,5-dimethyl-4-phenyl-1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol is CC1=CC(CO)(C(F)(F)F)CC(C)=C1c1ccccc1.
What is the InChIKey of [3,5-dimethyl-4-phenyl-1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol?
The InChIKey is NVQHTAZAOXLMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3O/c1-11-8-15(10-20,16(17,18)19)9-12(2)14(11)13-6-4-3-5-7-13/h3-8,20H,9-10H2,1-2H3.
What are the key properties of [3,5-dimethyl-4-phenyl-1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol?
[3,5-dimethyl-4-phenyl-1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol has a molecular weight of 282.30 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethyl-4-phenyl-1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol is sourced from PubChem (CID 174567095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).