[8-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)-6,6-dimethyl-3-propan-2-yl-7,8-dihydro-5H-naphthalen-2-yl]-[4-(trifluoromethyl)phenyl]methanol

C35H44F4O2Si — CID 11966464

IUPAC[8-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)-6,6-dimethyl-3-propan-2-yl-7,8-dihydro-5H-naphthalen-2-yl]-[4-(trifluoromethyl)phenyl]methanol
SMILESCC(C)c1cc2c(c(-c3ccc(F)cc3)c1C(O)c1ccc(C(F)(F)F)cc1)C(O[Si](C)(C)C(C)(C)C)CC(C)(C)C2
InChIInChI=1S/C35H44F4O2Si/c1-21(2)27-18-24-19-34(6,7)20-28(41-42(8,9)33(3,4)5)29(24)30(22-12-16-26(36)17-13-22)31(27)32(40)23-10-14-25(15-11-23)35(37,38)39/h10-18,21,28,32,40H,19-20H2,1-9H3
InChIKeyYVBYNAVKIXHGSK-UHFFFAOYSA-N
MW600.81 g/mol
LogP10.75
Rot. Bonds6

About [8-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)-6,6-dimethyl-3-propan-2-yl-7,8-dihydro-5H-naphthalen-2-yl]-[4-(trifluoromethyl)phenyl]methanol

[8-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)-6,6-dimethyl-3-propan-2-yl-7,8-dihydro-5H-naphthalen-2-yl]-[4-(trifluoromethyl)phenyl]methanol (PubChem CID 11966464) has the molecular formula C35H44F4O2Si and a molecular weight of 600.81 g/mol. Its IUPAC name is [8-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)-6,6-dimethyl-3-propan-2-yl-7,8-dihydro-5H-naphthalen-2-yl]-[4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[8-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)-6,6-dimethyl-3-propan-2-yl-7,8-dihydro-5H-naphthalen-2-yl]-[4-(trifluoromethyl)phenyl]methanol
PubChem CID11966464
Molecular FormulaC35H44F4O2Si
Molecular Weight600.81 g/mol
Exact Mass600.30
IUPAC Name[8-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)-6,6-dimethyl-3-propan-2-yl-7,8-dihydro-5H-naphthalen-2-yl]-[4-(trifluoromethyl)phenyl]methanol
SMILESCC(C)c1cc2c(c(-c3ccc(F)cc3)c1C(O)c1ccc(C(F)(F)F)cc1)C(O[Si](C)(C)C(C)(C)C)CC(C)(C)C2
InChIInChI=1S/C35H44F4O2Si/c1-21(2)27-18-24-19-34(6,7)20-28(41-42(8,9)33(3,4)5)29(24)30(22-12-16-26(36)17-13-22)31(27)32(40)23-10-14-25(15-11-23)35(37,38)39/h10-18,21,28,32,40H,19-20H2,1-9H3
InChIKeyYVBYNAVKIXHGSK-UHFFFAOYSA-N
XLogP10.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.81
LogP ≤ 510.75
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

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CID 15859793
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CID 17982982
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CID 17983016
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CID 17983102

Frequently Asked Questions

What is the IUPAC name of [8-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)-6,6-dimethyl-3-propan-2-yl-7,8-dihydro-5H-naphthalen-2-yl]-[4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [8-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)-6,6-dimethyl-3-propan-2-yl-7,8-dihydro-5H-naphthalen-2-yl]-[4-(trifluoromethyl)phenyl]methanol (CID 11966464) is [8-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)-6,6-dimethyl-3-propan-2-yl-7,8-dihydro-5H-naphthalen-2-yl]-[4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [8-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)-6,6-dimethyl-3-propan-2-yl-7,8-dihydro-5H-naphthalen-2-yl]-[4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [8-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)-6,6-dimethyl-3-propan-2-yl-7,8-dihydro-5H-naphthalen-2-yl]-[4-(trifluoromethyl)phenyl]methanol is CC(C)c1cc2c(c(-c3ccc(F)cc3)c1C(O)c1ccc(C(F)(F)F)cc1)C(O[Si](C)(C)C(C)(C)C)CC(C)(C)C2.
What is the InChIKey of [8-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)-6,6-dimethyl-3-propan-2-yl-7,8-dihydro-5H-naphthalen-2-yl]-[4-(trifluoromethyl)phenyl]methanol?
The InChIKey is YVBYNAVKIXHGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H44F4O2Si/c1-21(2)27-18-24-19-34(6,7)20-28(41-42(8,9)33(3,4)5)29(24)30(22-12-16-26(36)17-13-22)31(27)32(40)23-10-14-25(15-11-23)35(37,38)39/h10-18,21,28,32,40H,19-20H2,1-9H3.
What are the key properties of [8-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)-6,6-dimethyl-3-propan-2-yl-7,8-dihydro-5H-naphthalen-2-yl]-[4-(trifluoromethyl)phenyl]methanol?
[8-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)-6,6-dimethyl-3-propan-2-yl-7,8-dihydro-5H-naphthalen-2-yl]-[4-(trifluoromethyl)phenyl]methanol has a molecular weight of 600.81 g/mol, XLogP of 10.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)-6,6-dimethyl-3-propan-2-yl-7,8-dihydro-5H-naphthalen-2-yl]-[4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 11966464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).