[(1R,2R)-2-(2-bromophenoxy)-1,2-dihydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane

C22H27BrO2Si — CID 101262812

IUPAC[(1R,2R)-2-(2-bromophenoxy)-1,2-dihydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1c2ccccc2C=C[C@H]1Oc1ccccc1Br
InChIInChI=1S/C22H27BrO2Si/c1-22(2,3)26(4,5)25-21-17-11-7-6-10-16(17)14-15-20(21)24-19-13-9-8-12-18(19)23/h6-15,20-21H,1-5H3/t20-,21-/m1/s1
InChIKeyJJWPLWJZOVJLOV-NHCUHLMSSA-N
MW431.45 g/mol
LogP6.99
Rot. Bonds4

About [(1R,2R)-2-(2-bromophenoxy)-1,2-dihydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane

[(1R,2R)-2-(2-bromophenoxy)-1,2-dihydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 101262812) has the molecular formula C22H27BrO2Si and a molecular weight of 431.45 g/mol. Its IUPAC name is [(1R,2R)-2-(2-bromophenoxy)-1,2-dihydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1R,2R)-2-(2-bromophenoxy)-1,2-dihydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane
PubChem CID101262812
Molecular FormulaC22H27BrO2Si
Molecular Weight431.45 g/mol
Exact Mass430.10
IUPAC Name[(1R,2R)-2-(2-bromophenoxy)-1,2-dihydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1c2ccccc2C=C[C@H]1Oc1ccccc1Br
InChIInChI=1S/C22H27BrO2Si/c1-22(2,3)26(4,5)25-21-17-11-7-6-10-16(17)14-15-20(21)24-19-13-9-8-12-18(19)23/h6-15,20-21H,1-5H3/t20-,21-/m1/s1
InChIKeyJJWPLWJZOVJLOV-NHCUHLMSSA-N
XLogP6.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.45
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1R,2R)-2-(2-bromo-4-methoxyphenoxy)-1,2-dihydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane
CID 134877698
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxycyclopent-2-en-1-one
CID 99772660
(1R,2R)-2-(2-iodophenoxy)-1,2-dihydronaphthalen-1-ol
CID 101270860
tert-butyl-[[(9S,10S)-2,7-dibromo-10-[tert-butyl(dimethyl)silyl]oxy-9,10-dihydrophenanthren-9-yl]oxy]-dimethylsilane
CID 67424721
(4aR,9S,9aS,10R)-9,10-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-4a,9,9a,10-tetrahydroanthracene-1,4-dione
CID 101011974
(1R,2R,3R,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyl-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde
CID 11327996
tert-butyl-[[(1R,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-3,4-dihydro-1H-isochromen-4-yl]oxy]-dimethylsilane
CID 11454213
9-(2-bromophenoxy)-9H-fluorene
CID 102332069
tert-butyl-dimethyl-[[(13R,14R)-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,15,17,19-nonaen-14-yl]oxy]silane
CID 101262811
tert-butyl-[[1-[2-[4-[tert-butyl(dimethyl)silyl]oxy-1H-inden-1-yl]ethyl]-1H-inden-4-yl]oxy]-dimethylsilane
CID 23539509
tert-butyl-dimethyl-[(1R,2R)-2-[2-[(Z)-prop-1-enyl]phenoxy]cyclopent-3-en-1-yl]oxysilane
CID 11088836
bis(1H-inden-1-yl)-dimethylsilane
CID 599429

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-(2-bromophenoxy)-1,2-dihydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1R,2R)-2-(2-bromophenoxy)-1,2-dihydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane (CID 101262812) is [(1R,2R)-2-(2-bromophenoxy)-1,2-dihydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1R,2R)-2-(2-bromophenoxy)-1,2-dihydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1R,2R)-2-(2-bromophenoxy)-1,2-dihydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@@H]1c2ccccc2C=C[C@H]1Oc1ccccc1Br.
What is the InChIKey of [(1R,2R)-2-(2-bromophenoxy)-1,2-dihydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is JJWPLWJZOVJLOV-NHCUHLMSSA-N. The full InChI is InChI=1S/C22H27BrO2Si/c1-22(2,3)26(4,5)25-21-17-11-7-6-10-16(17)14-15-20(21)24-19-13-9-8-12-18(19)23/h6-15,20-21H,1-5H3/t20-,21-/m1/s1.
What are the key properties of [(1R,2R)-2-(2-bromophenoxy)-1,2-dihydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane?
[(1R,2R)-2-(2-bromophenoxy)-1,2-dihydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 431.45 g/mol, XLogP of 6.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-(2-bromophenoxy)-1,2-dihydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 101262812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).