[(2,6-difluoro-4-phenylmethoxyphenyl)-(2-phenylmethoxyphenyl)methoxy]-tri(propan-2-yl)silane

C36H42F2O3Si — CID 164669722

IUPAC[(2,6-difluoro-4-phenylmethoxyphenyl)-(2-phenylmethoxyphenyl)methoxy]-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC(c1ccccc1OCc1ccccc1)c1c(F)cc(OCc2ccccc2)cc1F)(C(C)C)C(C)C
InChIInChI=1S/C36H42F2O3Si/c1-25(2)42(26(3)4,27(5)6)41-36(31-19-13-14-20-34(31)40-24-29-17-11-8-12-18-29)35-32(37)21-30(22-33(35)38)39-23-28-15-9-7-10-16-28/h7-22,25-27,36H,23-24H2,1-6H3
InChIKeyOPOXTJXBMODQOF-UHFFFAOYSA-N
MW588.81 g/mol
LogP10.40
Rot. Bonds13

About [(2,6-difluoro-4-phenylmethoxyphenyl)-(2-phenylmethoxyphenyl)methoxy]-tri(propan-2-yl)silane

[(2,6-difluoro-4-phenylmethoxyphenyl)-(2-phenylmethoxyphenyl)methoxy]-tri(propan-2-yl)silane (PubChem CID 164669722) has the molecular formula C36H42F2O3Si and a molecular weight of 588.81 g/mol. Its IUPAC name is [(2,6-difluoro-4-phenylmethoxyphenyl)-(2-phenylmethoxyphenyl)methoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(2,6-difluoro-4-phenylmethoxyphenyl)-(2-phenylmethoxyphenyl)methoxy]-tri(propan-2-yl)silane
PubChem CID164669722
Molecular FormulaC36H42F2O3Si
Molecular Weight588.81 g/mol
Exact Mass588.29
IUPAC Name[(2,6-difluoro-4-phenylmethoxyphenyl)-(2-phenylmethoxyphenyl)methoxy]-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC(c1ccccc1OCc1ccccc1)c1c(F)cc(OCc2ccccc2)cc1F)(C(C)C)C(C)C
InChIInChI=1S/C36H42F2O3Si/c1-25(2)42(26(3)4,27(5)6)41-36(31-19-13-14-20-34(31)40-24-29-17-11-8-12-18-29)35-32(37)21-30(22-33(35)38)39-23-28-15-9-7-10-16-28/h7-22,25-27,36H,23-24H2,1-6H3
InChIKeyOPOXTJXBMODQOF-UHFFFAOYSA-N
XLogP10.40
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.81
LogP ≤ 510.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2,4,5-tetrafluoro-3-[4-[(Z)-2-phenyl-1-(4-phenylmethoxyphenyl)but-1-enyl]phenoxy]-6-(trifluoromethyl)benzene
CID 11734811
2-(1,5-Bis(2-(benzyloxy)phenyl)-5-(2-methoxy-5-methylphenyl)-1,2,3,4-pentatetraenyl)-1-methoxy-4-methylbenzene
CID 327361
tert-butyl-[4-(9-methoxy-6H-benzo[c]chromen-6-yl)phenoxy]-dimethylsilane
CID 162648796
1,2,4,5-tetrafluoro-3-[4-[(E)-2-phenyl-1-(4-phenylmethoxyphenyl)but-1-enyl]phenoxy]-6-(trifluoromethyl)benzene
CID 11050400
5,11,17,23-Tetrakis(2,3,4,5,6-pentafluorophenyl)-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene
CID 102428745
triphenyl-[(E)-1,1,1-trifluoro-5-[(4-methoxyphenyl)methoxy]-6-methylhept-2-en-2-yl]germane
CID 134952313
(2S,3R,4R,5S)-3,4-bis(4-fluorophenyl)-2,5-bis(4-methoxyphenyl)oxolane
CID 139093392
(2,6-Difluoro-4-phenylmethoxyphenyl)-(2-phenylmethoxyphenyl)methanol
CID 164669723
3-(4-fluorophenyl)-4-(4-methoxyphenyl)-2H-chromene
CID 176423940
tert-butyl-[(2E)-2-[(2R,6S)-2-[(4-methoxyphenyl)methoxymethyl]-6-(trityloxymethyl)oxan-4-ylidene]ethoxy]-diphenylsilane
CID 139249881
[(2R,3R,4S,5Z,8S,9R,10R,11S,12S,13Z)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-[(4-methoxyphenyl)methoxy]-2,4,6,8,10,12-hexamethylhexadeca-5,13,15-trienyl]-iodo-triphenyl-lambda5-phosphane
CID 59678386
(S)-1-((2R,6S)-6-((S)-4-(tert-butyldiphenyl silyloxy)-2-(4-methoxybenzyloxy)butyl)-4-methylenetetrahydro-2H-pyran-2-yl)-4-((trimethylsilyl)methyl)pent-4-en-2-ol
CID 101860940

Frequently Asked Questions

What is the IUPAC name of [(2,6-difluoro-4-phenylmethoxyphenyl)-(2-phenylmethoxyphenyl)methoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(2,6-difluoro-4-phenylmethoxyphenyl)-(2-phenylmethoxyphenyl)methoxy]-tri(propan-2-yl)silane (CID 164669722) is [(2,6-difluoro-4-phenylmethoxyphenyl)-(2-phenylmethoxyphenyl)methoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(2,6-difluoro-4-phenylmethoxyphenyl)-(2-phenylmethoxyphenyl)methoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(2,6-difluoro-4-phenylmethoxyphenyl)-(2-phenylmethoxyphenyl)methoxy]-tri(propan-2-yl)silane is CC(C)[Si](OC(c1ccccc1OCc1ccccc1)c1c(F)cc(OCc2ccccc2)cc1F)(C(C)C)C(C)C.
What is the InChIKey of [(2,6-difluoro-4-phenylmethoxyphenyl)-(2-phenylmethoxyphenyl)methoxy]-tri(propan-2-yl)silane?
The InChIKey is OPOXTJXBMODQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H42F2O3Si/c1-25(2)42(26(3)4,27(5)6)41-36(31-19-13-14-20-34(31)40-24-29-17-11-8-12-18-29)35-32(37)21-30(22-33(35)38)39-23-28-15-9-7-10-16-28/h7-22,25-27,36H,23-24H2,1-6H3.
What are the key properties of [(2,6-difluoro-4-phenylmethoxyphenyl)-(2-phenylmethoxyphenyl)methoxy]-tri(propan-2-yl)silane?
[(2,6-difluoro-4-phenylmethoxyphenyl)-(2-phenylmethoxyphenyl)methoxy]-tri(propan-2-yl)silane has a molecular weight of 588.81 g/mol, XLogP of 10.40, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,6-difluoro-4-phenylmethoxyphenyl)-(2-phenylmethoxyphenyl)methoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 164669722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).