(E)-4,4-difluoro-1-(4-methoxyphenyl)-2-triethylsilylbut-2-en-1-ol

C17H26F2O2Si — CID 25243269

IUPAC(E)-4,4-difluoro-1-(4-methoxyphenyl)-2-triethylsilylbut-2-en-1-ol
SMILESCC[Si](CC)(CC)/C(=C/C(F)F)C(O)c1ccc(OC)cc1
InChIInChI=1S/C17H26F2O2Si/c1-5-22(6-2,7-3)15(12-16(18)19)17(20)13-8-10-14(21-4)11-9-13/h8-12,16-17,20H,5-7H2,1-4H3/b15-12+
InChIKeyWYMTYNKJNLEJBR-NTCAYCPXSA-N
MW328.48 g/mol
LogP4.97
Rot. Bonds8

About (E)-4,4-difluoro-1-(4-methoxyphenyl)-2-triethylsilylbut-2-en-1-ol

(E)-4,4-difluoro-1-(4-methoxyphenyl)-2-triethylsilylbut-2-en-1-ol (PubChem CID 25243269) has the molecular formula C17H26F2O2Si and a molecular weight of 328.48 g/mol. Its IUPAC name is (E)-4,4-difluoro-1-(4-methoxyphenyl)-2-triethylsilylbut-2-en-1-ol.

Molecular Properties

Compound Name(E)-4,4-difluoro-1-(4-methoxyphenyl)-2-triethylsilylbut-2-en-1-ol
PubChem CID25243269
Molecular FormulaC17H26F2O2Si
Molecular Weight328.48 g/mol
Exact Mass328.17
IUPAC Name(E)-4,4-difluoro-1-(4-methoxyphenyl)-2-triethylsilylbut-2-en-1-ol
SMILESCC[Si](CC)(CC)/C(=C/C(F)F)C(O)c1ccc(OC)cc1
InChIInChI=1S/C17H26F2O2Si/c1-5-22(6-2,7-3)15(12-16(18)19)17(20)13-8-10-14(21-4)11-9-13/h8-12,16-17,20H,5-7H2,1-4H3/b15-12+
InChIKeyWYMTYNKJNLEJBR-NTCAYCPXSA-N
XLogP4.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E)-1,1-difluoro-4-(4-methoxyphenyl)but-2-en-2-yl]-triethylsilane
CID 25243104
3-hydroxy-3-(4-methoxyphenyl)-2-oxopropanoic acid
CID 70435403
CID 175713586
CID 175713586
(2R)-2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 6951708
(2R)-2-fluoro-2-(4-methoxyphenyl)ethanol
CID 130626363
1-hydroxy-1-(4-methoxyphenyl)propan-2-one
CID 10080999
1-[fluoro-(4-methoxyphenyl)methyl]-4-methoxybenzene
CID 15206991
triethyl-[(E)-1-(4-methoxyphenyl)prop-1-enyl]silane
CID 164735856
ethyl 2-[hydroxy-(4-methoxyphenyl)methyl]prop-2-enoate
CID 11447702
triethyl-[(E)-4,4,4-trifluoro-1-(4-methoxyphenyl)but-2-en-2-yl]silane
CID 25242885
ethane;2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 143238154
1-(4-methoxyphenyl)(213C)ethane-1,2-diol
CID 101170566

Frequently Asked Questions

What is the IUPAC name of (E)-4,4-difluoro-1-(4-methoxyphenyl)-2-triethylsilylbut-2-en-1-ol?
The IUPAC name of (E)-4,4-difluoro-1-(4-methoxyphenyl)-2-triethylsilylbut-2-en-1-ol (CID 25243269) is (E)-4,4-difluoro-1-(4-methoxyphenyl)-2-triethylsilylbut-2-en-1-ol.
What is the SMILES notation for (E)-4,4-difluoro-1-(4-methoxyphenyl)-2-triethylsilylbut-2-en-1-ol?
The canonical SMILES for (E)-4,4-difluoro-1-(4-methoxyphenyl)-2-triethylsilylbut-2-en-1-ol is CC[Si](CC)(CC)/C(=C/C(F)F)C(O)c1ccc(OC)cc1.
What is the InChIKey of (E)-4,4-difluoro-1-(4-methoxyphenyl)-2-triethylsilylbut-2-en-1-ol?
The InChIKey is WYMTYNKJNLEJBR-NTCAYCPXSA-N. The full InChI is InChI=1S/C17H26F2O2Si/c1-5-22(6-2,7-3)15(12-16(18)19)17(20)13-8-10-14(21-4)11-9-13/h8-12,16-17,20H,5-7H2,1-4H3/b15-12+.
What are the key properties of (E)-4,4-difluoro-1-(4-methoxyphenyl)-2-triethylsilylbut-2-en-1-ol?
(E)-4,4-difluoro-1-(4-methoxyphenyl)-2-triethylsilylbut-2-en-1-ol has a molecular weight of 328.48 g/mol, XLogP of 4.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,4-difluoro-1-(4-methoxyphenyl)-2-triethylsilylbut-2-en-1-ol is sourced from PubChem (CID 25243269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).