(E)-1,1,1-trifluoro-2-(4-methoxyphenyl)-6-trimethylsilylhex-4-en-2-ol

C16H23F3O2Si — CID 132567578

IUPAC(E)-1,1,1-trifluoro-2-(4-methoxyphenyl)-6-trimethylsilylhex-4-en-2-ol
SMILESCOc1ccc(C(O)(C/C=C/C[Si](C)(C)C)C(F)(F)F)cc1
InChIInChI=1S/C16H23F3O2Si/c1-21-14-9-7-13(8-10-14)15(20,16(17,18)19)11-5-6-12-22(2,3)4/h5-10,20H,11-12H2,1-4H3/b6-5+
InChIKeyBAWIPPFRFJASAT-AATRIKPKSA-N
MW332.44 g/mol
LogP4.73
Rot. Bonds6

About (E)-1,1,1-trifluoro-2-(4-methoxyphenyl)-6-trimethylsilylhex-4-en-2-ol

(E)-1,1,1-trifluoro-2-(4-methoxyphenyl)-6-trimethylsilylhex-4-en-2-ol (PubChem CID 132567578) has the molecular formula C16H23F3O2Si and a molecular weight of 332.44 g/mol. Its IUPAC name is (E)-1,1,1-trifluoro-2-(4-methoxyphenyl)-6-trimethylsilylhex-4-en-2-ol.

Molecular Properties

Compound Name(E)-1,1,1-trifluoro-2-(4-methoxyphenyl)-6-trimethylsilylhex-4-en-2-ol
PubChem CID132567578
Molecular FormulaC16H23F3O2Si
Molecular Weight332.44 g/mol
Exact Mass332.14
IUPAC Name(E)-1,1,1-trifluoro-2-(4-methoxyphenyl)-6-trimethylsilylhex-4-en-2-ol
SMILESCOc1ccc(C(O)(C/C=C/C[Si](C)(C)C)C(F)(F)F)cc1
InChIInChI=1S/C16H23F3O2Si/c1-21-14-9-7-13(8-10-14)15(20,16(17,18)19)11-5-6-12-22(2,3)4/h5-10,20H,11-12H2,1-4H3/b6-5+
InChIKeyBAWIPPFRFJASAT-AATRIKPKSA-N
XLogP4.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-1,1,1-trifluoro-2-(4-methoxyphenyl)-6-trimethylsilylhex-4-en-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

3-amino-1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-ol
CID 63083264
1,1,1-trifluoro-2-(4-methoxyphenyl)-4,4-diphenylbutan-2-ol
CID 168720238
3,3-difluoro-3-(4-methoxyphenyl)propanal
CID 105452631
6,6,6-trifluoro-5-hydroxy-5-(4-methoxyphenyl)-2-methyl-3-oxohexanoic acid
CID 122573519
1,4-bis[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]benzene
CID 88568102
(3S)-3-hydroxy-3-(4-methoxyphenyl)butanal
CID 97030756
(2S)-2-hydroxy-4-(4-methoxyphenyl)-4-methyl-2-(trifluoromethyl)pentanal
CID 129383802
2-(4-methoxyphenyl)-3,3-dimethyl-1-pyrimidin-5-ylbutan-2-ol
CID 70511217
2-(4-methoxyphenyl)butan-2-ol
CID 10307904
1-(2,3-dibromo-1,1,1-trifluoropropan-2-yl)-4-methoxybenzene
CID 154711398
4-amino-3,3-difluoro-2-(4-methoxyphenyl)butan-2-ol
CID 105489048
N-[4-[3,3,3-trifluoro-2-hydroxy-2-(4-methoxyphenyl)propyl]sulfinylphenyl]acetamide
CID 166447687

Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1-trifluoro-2-(4-methoxyphenyl)-6-trimethylsilylhex-4-en-2-ol?
The IUPAC name of (E)-1,1,1-trifluoro-2-(4-methoxyphenyl)-6-trimethylsilylhex-4-en-2-ol (CID 132567578) is (E)-1,1,1-trifluoro-2-(4-methoxyphenyl)-6-trimethylsilylhex-4-en-2-ol.
What is the SMILES notation for (E)-1,1,1-trifluoro-2-(4-methoxyphenyl)-6-trimethylsilylhex-4-en-2-ol?
The canonical SMILES for (E)-1,1,1-trifluoro-2-(4-methoxyphenyl)-6-trimethylsilylhex-4-en-2-ol is COc1ccc(C(O)(C/C=C/C[Si](C)(C)C)C(F)(F)F)cc1.
What is the InChIKey of (E)-1,1,1-trifluoro-2-(4-methoxyphenyl)-6-trimethylsilylhex-4-en-2-ol?
The InChIKey is BAWIPPFRFJASAT-AATRIKPKSA-N. The full InChI is InChI=1S/C16H23F3O2Si/c1-21-14-9-7-13(8-10-14)15(20,16(17,18)19)11-5-6-12-22(2,3)4/h5-10,20H,11-12H2,1-4H3/b6-5+.
What are the key properties of (E)-1,1,1-trifluoro-2-(4-methoxyphenyl)-6-trimethylsilylhex-4-en-2-ol?
(E)-1,1,1-trifluoro-2-(4-methoxyphenyl)-6-trimethylsilylhex-4-en-2-ol has a molecular weight of 332.44 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1-trifluoro-2-(4-methoxyphenyl)-6-trimethylsilylhex-4-en-2-ol is sourced from PubChem (CID 132567578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).