[4-[2-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxyimino]ethyl]-2-ethylphenyl]methanol

C25H30F3NO2 — CID 87710760

IUPAC[4-[2-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxyimino]ethyl]-2-ethylphenyl]methanol
SMILESCCc1cc(CC=NOCc2ccc(C3CCCCC3)c(C(F)(F)F)c2)ccc1CO
InChIInChI=1S/C25H30F3NO2/c1-2-20-14-18(8-10-22(20)16-30)12-13-29-31-17-19-9-11-23(21-6-4-3-5-7-21)24(15-19)25(26,27)28/h8-11,13-15,21,30H,2-7,12,16-17H2,1H3
InChIKeyKQHNTVCTVNAGQF-UHFFFAOYSA-N
MW433.51 g/mol
LogP6.55
Rot. Bonds8

About [4-[2-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxyimino]ethyl]-2-ethylphenyl]methanol

[4-[2-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxyimino]ethyl]-2-ethylphenyl]methanol (PubChem CID 87710760) has the molecular formula C25H30F3NO2 and a molecular weight of 433.51 g/mol. Its IUPAC name is [4-[2-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxyimino]ethyl]-2-ethylphenyl]methanol.

Molecular Properties

Compound Name[4-[2-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxyimino]ethyl]-2-ethylphenyl]methanol
PubChem CID87710760
Molecular FormulaC25H30F3NO2
Molecular Weight433.51 g/mol
Exact Mass433.22
IUPAC Name[4-[2-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxyimino]ethyl]-2-ethylphenyl]methanol
SMILESCCc1cc(CC=NOCc2ccc(C3CCCCC3)c(C(F)(F)F)c2)ccc1CO
InChIInChI=1S/C25H30F3NO2/c1-2-20-14-18(8-10-22(20)16-30)12-13-29-31-17-19-9-11-23(21-6-4-3-5-7-21)24(15-19)25(26,27)28/h8-11,13-15,21,30H,2-7,12,16-17H2,1H3
InChIKeyKQHNTVCTVNAGQF-UHFFFAOYSA-N
XLogP6.55
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [4-[2-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxyimino]ethyl]-2-ethylphenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[2-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxyimino]ethyl]-2-ethylphenyl]methanol?
The IUPAC name of [4-[2-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxyimino]ethyl]-2-ethylphenyl]methanol (CID 87710760) is [4-[2-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxyimino]ethyl]-2-ethylphenyl]methanol.
What is the SMILES notation for [4-[2-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxyimino]ethyl]-2-ethylphenyl]methanol?
The canonical SMILES for [4-[2-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxyimino]ethyl]-2-ethylphenyl]methanol is CCc1cc(CC=NOCc2ccc(C3CCCCC3)c(C(F)(F)F)c2)ccc1CO.
What is the InChIKey of [4-[2-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxyimino]ethyl]-2-ethylphenyl]methanol?
The InChIKey is KQHNTVCTVNAGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F3NO2/c1-2-20-14-18(8-10-22(20)16-30)12-13-29-31-17-19-9-11-23(21-6-4-3-5-7-21)24(15-19)25(26,27)28/h8-11,13-15,21,30H,2-7,12,16-17H2,1H3.
What are the key properties of [4-[2-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxyimino]ethyl]-2-ethylphenyl]methanol?
[4-[2-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxyimino]ethyl]-2-ethylphenyl]methanol has a molecular weight of 433.51 g/mol, XLogP of 6.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxyimino]ethyl]-2-ethylphenyl]methanol is sourced from PubChem (CID 87710760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).