tert-butyl-[[3-(3,3-dimethylbut-1-en-2-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-dimethylsilane;[3-(3,3-dimethylbut-1-en-2-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol

C46H60F2O4Si — CID 158180652

IUPACtert-butyl-[[3-(3,3-dimethylbut-1-en-2-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-dimethylsilane;[3-(3,3-dimethylbut-1-en-2-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol
SMILESC=C(c1cc(CO)ccc1-c1cc(OC)ccc1F)C(C)(C)C.C=C(c1cc(CO[Si](C)(C)C(C)(C)C)ccc1-c1cc(OC)ccc1F)C(C)(C)C
InChIInChI=1S/C26H37FO2Si.C20H23FO2/c1-18(25(2,3)4)22-15-19(17-29-30(9,10)26(5,6)7)11-13-21(22)23-16-20(28-8)12-14-24(23)27;1-13(20(2,3)4)17-10-14(12-22)6-8-16(17)18-11-15(23-5)7-9-19(18)21/h11-16H,1,17H2,2-10H3;6-11,22H,1,12H2,2-5H3
InChIKeyFYNVXFKFOGQTBT-UHFFFAOYSA-N
MW743.06 g/mol
LogP13.14
Rot. Bonds10

About tert-butyl-[[3-(3,3-dimethylbut-1-en-2-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-dimethylsilane;[3-(3,3-dimethylbut-1-en-2-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol

tert-butyl-[[3-(3,3-dimethylbut-1-en-2-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-dimethylsilane;[3-(3,3-dimethylbut-1-en-2-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol (PubChem CID 158180652) has the molecular formula C46H60F2O4Si and a molecular weight of 743.06 g/mol. Its IUPAC name is tert-butyl-[[3-(3,3-dimethylbut-1-en-2-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-dimethylsilane;[3-(3,3-dimethylbut-1-en-2-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol.

Molecular Properties

Compound Nametert-butyl-[[3-(3,3-dimethylbut-1-en-2-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-dimethylsilane;[3-(3,3-dimethylbut-1-en-2-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol
PubChem CID158180652
Molecular FormulaC46H60F2O4Si
Molecular Weight743.06 g/mol
Exact Mass742.42
IUPAC Nametert-butyl-[[3-(3,3-dimethylbut-1-en-2-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-dimethylsilane;[3-(3,3-dimethylbut-1-en-2-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol
SMILESC=C(c1cc(CO)ccc1-c1cc(OC)ccc1F)C(C)(C)C.C=C(c1cc(CO[Si](C)(C)C(C)(C)C)ccc1-c1cc(OC)ccc1F)C(C)(C)C
InChIInChI=1S/C26H37FO2Si.C20H23FO2/c1-18(25(2,3)4)22-15-19(17-29-30(9,10)26(5,6)7)11-13-21(22)23-16-20(28-8)12-14-24(23)27;1-13(20(2,3)4)17-10-14(12-22)6-8-16(17)18-11-15(23-5)7-9-19(18)21/h11-16H,1,17H2,2-10H3;6-11,22H,1,12H2,2-5H3
InChIKeyFYNVXFKFOGQTBT-UHFFFAOYSA-N
XLogP13.14
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.06
LogP ≤ 513.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl-[[3-(3,3-dimethylbut-1-en-2-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-dimethylsilane;[3-(3,3-dimethylbut-1-en-2-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol 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

2-(2-fluoro-5-methoxyphenyl)-5-(hydroxymethyl)benzoic acid
CID 57467590
tert-butyl-[(2-fluoro-5-methoxyphenyl)methoxy]-dimethylsilane
CID 140698939
1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-fluoro-5-methoxyphenyl)phenyl]cyclopent-3-en-1-ol;4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-fluoro-5-methoxyphenyl)phenyl]hepta-1,6-dien-4-ol
CID 160745564
ethane;1-[5-ethyl-2-(2-fluoro-5-methoxyphenyl)phenyl]-2,2-dimethylpropan-1-one
CID 143789443
[3-(2,2-dimethylpent-4-ynyl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol
CID 175927723
CID 161107965
CID 161107965
tert-butyl-[[4-(2,5-difluorophenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-dimethylsilane;tert-butyl-[[4-(2,5-difluorophenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-dimethylsilane;(1S)-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,5-difluorophenyl)phenyl]-2,2-dimethylpropan-1-ol;(1R)-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,5-difluorophenyl)phenyl]-2,2-dimethylpropan-1-ol
CID 158062726
[3-(bromomethyl)phenyl]methoxy-tert-butyl-dimethylsilane;[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methanol
CID 159353997
CID 161421719
CID 161421719
tert-butyl-dimethyl-[(3,4,5-trifluorophenyl)methoxy]silane
CID 91735449
[5-(2,2-dimethylpentyl)-2-fluoro-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol
CID 143789392
CID 157352801
CID 157352801

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[3-(3,3-dimethylbut-1-en-2-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-dimethylsilane;[3-(3,3-dimethylbut-1-en-2-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol?
The IUPAC name of tert-butyl-[[3-(3,3-dimethylbut-1-en-2-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-dimethylsilane;[3-(3,3-dimethylbut-1-en-2-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol (CID 158180652) is tert-butyl-[[3-(3,3-dimethylbut-1-en-2-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-dimethylsilane;[3-(3,3-dimethylbut-1-en-2-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol.
What is the SMILES notation for tert-butyl-[[3-(3,3-dimethylbut-1-en-2-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-dimethylsilane;[3-(3,3-dimethylbut-1-en-2-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol?
The canonical SMILES for tert-butyl-[[3-(3,3-dimethylbut-1-en-2-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-dimethylsilane;[3-(3,3-dimethylbut-1-en-2-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol is C=C(c1cc(CO)ccc1-c1cc(OC)ccc1F)C(C)(C)C.C=C(c1cc(CO[Si](C)(C)C(C)(C)C)ccc1-c1cc(OC)ccc1F)C(C)(C)C.
What is the InChIKey of tert-butyl-[[3-(3,3-dimethylbut-1-en-2-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-dimethylsilane;[3-(3,3-dimethylbut-1-en-2-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol?
The InChIKey is FYNVXFKFOGQTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37FO2Si.C20H23FO2/c1-18(25(2,3)4)22-15-19(17-29-30(9,10)26(5,6)7)11-13-21(22)23-16-20(28-8)12-14-24(23)27;1-13(20(2,3)4)17-10-14(12-22)6-8-16(17)18-11-15(23-5)7-9-19(18)21/h11-16H,1,17H2,2-10H3;6-11,22H,1,12H2,2-5H3.
What are the key properties of tert-butyl-[[3-(3,3-dimethylbut-1-en-2-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-dimethylsilane;[3-(3,3-dimethylbut-1-en-2-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol?
tert-butyl-[[3-(3,3-dimethylbut-1-en-2-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-dimethylsilane;[3-(3,3-dimethylbut-1-en-2-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol has a molecular weight of 743.06 g/mol, XLogP of 13.14, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[3-(3,3-dimethylbut-1-en-2-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-dimethylsilane;[3-(3,3-dimethylbut-1-en-2-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol is sourced from PubChem (CID 158180652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).