6-phenylmethoxy-1H-indole;1-tri(propan-2-yl)silylindol-6-ol

C32H40N2O2Si — CID 159125472

IUPAC6-phenylmethoxy-1H-indole;1-tri(propan-2-yl)silylindol-6-ol
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ccc2ccc(O)cc21.c1ccc(COc2ccc3cc[nH]c3c2)cc1
InChIInChI=1S/C17H27NOSi.C15H13NO/c1-12(2)20(13(3)4,14(5)6)18-10-9-15-7-8-16(19)11-17(15)18;1-2-4-12(5-3-1)11-17-14-7-6-13-8-9-16-15(13)10-14/h7-14,19H,1-6H3;1-10,16H,11H2
InChIKeyKGFIBQYPKICPAN-UHFFFAOYSA-N
MW512.77 g/mol
LogP9.12
Rot. Bonds7

About 6-phenylmethoxy-1H-indole;1-tri(propan-2-yl)silylindol-6-ol

6-phenylmethoxy-1H-indole;1-tri(propan-2-yl)silylindol-6-ol (PubChem CID 159125472) has the molecular formula C32H40N2O2Si and a molecular weight of 512.77 g/mol. Its IUPAC name is 6-phenylmethoxy-1H-indole;1-tri(propan-2-yl)silylindol-6-ol.

Molecular Properties

Compound Name6-phenylmethoxy-1H-indole;1-tri(propan-2-yl)silylindol-6-ol
PubChem CID159125472
Molecular FormulaC32H40N2O2Si
Molecular Weight512.77 g/mol
Exact Mass512.29
IUPAC Name6-phenylmethoxy-1H-indole;1-tri(propan-2-yl)silylindol-6-ol
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ccc2ccc(O)cc21.c1ccc(COc2ccc3cc[nH]c3c2)cc1
InChIInChI=1S/C17H27NOSi.C15H13NO/c1-12(2)20(13(3)4,14(5)6)18-10-9-15-7-8-16(19)11-17(15)18;1-2-4-12(5-3-1)11-17-14-7-6-13-8-9-16-15(13)10-14/h7-14,19H,1-6H3;1-10,16H,11H2
InChIKeyKGFIBQYPKICPAN-UHFFFAOYSA-N
XLogP9.12
TPSA50.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.77
LogP ≤ 59.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 154090222
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1-phenyl-6-phenylmethoxyindole
CID 22049132
methyl 6-phenylmethoxyindole-1-carboxylate
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CID 69159723
7-phenylmethoxyquinoline;quinolin-7-ol
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7-methoxy-8-(2-methoxy-7-phenylmethoxynaphthalen-1-yl)naphthalen-2-ol
CID 15626894
(6-phenylmethoxy-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 47839341
1-(1H-indol-6-yl)-7-(2-phenyl-5-phenylmethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 67106306
5-phenylmethoxy-2-[(1S)-1-piperazin-1-ylethyl]phenol
CID 171283032

Frequently Asked Questions

What is the IUPAC name of 6-phenylmethoxy-1H-indole;1-tri(propan-2-yl)silylindol-6-ol?
The IUPAC name of 6-phenylmethoxy-1H-indole;1-tri(propan-2-yl)silylindol-6-ol (CID 159125472) is 6-phenylmethoxy-1H-indole;1-tri(propan-2-yl)silylindol-6-ol.
What is the SMILES notation for 6-phenylmethoxy-1H-indole;1-tri(propan-2-yl)silylindol-6-ol?
The canonical SMILES for 6-phenylmethoxy-1H-indole;1-tri(propan-2-yl)silylindol-6-ol is CC(C)[Si](C(C)C)(C(C)C)n1ccc2ccc(O)cc21.c1ccc(COc2ccc3cc[nH]c3c2)cc1.
What is the InChIKey of 6-phenylmethoxy-1H-indole;1-tri(propan-2-yl)silylindol-6-ol?
The InChIKey is KGFIBQYPKICPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOSi.C15H13NO/c1-12(2)20(13(3)4,14(5)6)18-10-9-15-7-8-16(19)11-17(15)18;1-2-4-12(5-3-1)11-17-14-7-6-13-8-9-16-15(13)10-14/h7-14,19H,1-6H3;1-10,16H,11H2.
What are the key properties of 6-phenylmethoxy-1H-indole;1-tri(propan-2-yl)silylindol-6-ol?
6-phenylmethoxy-1H-indole;1-tri(propan-2-yl)silylindol-6-ol has a molecular weight of 512.77 g/mol, XLogP of 9.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylmethoxy-1H-indole;1-tri(propan-2-yl)silylindol-6-ol is sourced from PubChem (CID 159125472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).