[2,6-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-(4-phenylmethoxy-3-propan-2-ylphenyl)methanol

C34H48O3Si — CID 175768889

IUPAC[2,6-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-(4-phenylmethoxy-3-propan-2-ylphenyl)methanol
SMILESCc1cc(O[Si](C(C)C)(C(C)C)C(C)C)cc(C)c1C(O)c1ccc(OCc2ccccc2)c(C(C)C)c1
InChIInChI=1S/C34H48O3Si/c1-22(2)31-20-29(16-17-32(31)36-21-28-14-12-11-13-15-28)34(35)33-26(9)18-30(19-27(33)10)37-38(23(3)4,24(5)6)25(7)8/h11-20,22-25,34-35H,21H2,1-10H3
InChIKeyLCBSZYUQWNSTNM-UHFFFAOYSA-N
MW532.84 g/mol
LogP9.64
Rot. Bonds11

About [2,6-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-(4-phenylmethoxy-3-propan-2-ylphenyl)methanol

[2,6-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-(4-phenylmethoxy-3-propan-2-ylphenyl)methanol (PubChem CID 175768889) has the molecular formula C34H48O3Si and a molecular weight of 532.84 g/mol. Its IUPAC name is [2,6-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-(4-phenylmethoxy-3-propan-2-ylphenyl)methanol.

Molecular Properties

Compound Name[2,6-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-(4-phenylmethoxy-3-propan-2-ylphenyl)methanol
PubChem CID175768889
Molecular FormulaC34H48O3Si
Molecular Weight532.84 g/mol
Exact Mass532.34
IUPAC Name[2,6-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-(4-phenylmethoxy-3-propan-2-ylphenyl)methanol
SMILESCc1cc(O[Si](C(C)C)(C(C)C)C(C)C)cc(C)c1C(O)c1ccc(OCc2ccccc2)c(C(C)C)c1
InChIInChI=1S/C34H48O3Si/c1-22(2)31-20-29(16-17-32(31)36-21-28-14-12-11-13-15-28)34(35)33-26(9)18-30(19-27(33)10)37-38(23(3)4,24(5)6)25(7)8/h11-20,22-25,34-35H,21H2,1-10H3
InChIKeyLCBSZYUQWNSTNM-UHFFFAOYSA-N
XLogP9.64
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.84
LogP ≤ 59.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2,6-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-[4-(methoxymethoxy)-3-methylphenyl]methanol
CID 25149324
[2,6-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-[4-(methoxymethoxy)naphthalen-1-yl]methanol
CID 171832364
(4-phenylmethoxy-3-propan-2-ylphenyl) acetate
CID 19030080
2,2-dichloro-1-(3-methyl-4-phenylmethoxyphenyl)ethanol
CID 164893082
4-(4-ethoxyphenoxy)-1-phenylmethoxy-2-propan-2-ylbenzene
CID 21466253
(S)-(3-methoxy-4-phenylmethoxyphenyl)-(4-methylphenyl)methanol
CID 129384165
(1R)-2-bromo-1-(3-methyl-4-phenylmethoxyphenyl)ethanol
CID 59964196
(1R)-2-bromo-1-(3-methyl-4-phenylmethoxyphenyl)ethanol;ethane
CID 91382169
4-phenylmethoxy-3-propan-2-ylbenzenesulfonyl chloride
CID 43247067
(6-chloro-5-phenylmethoxy-2-pyridinyl)methoxy-tri(propan-2-yl)silane
CID 131746417
(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
CID 63364701
1-(3-fluoro-4-phenylmethoxyphenyl)ethanol
CID 115582207

Frequently Asked Questions

What is the IUPAC name of [2,6-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-(4-phenylmethoxy-3-propan-2-ylphenyl)methanol?
The IUPAC name of [2,6-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-(4-phenylmethoxy-3-propan-2-ylphenyl)methanol (CID 175768889) is [2,6-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-(4-phenylmethoxy-3-propan-2-ylphenyl)methanol.
What is the SMILES notation for [2,6-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-(4-phenylmethoxy-3-propan-2-ylphenyl)methanol?
The canonical SMILES for [2,6-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-(4-phenylmethoxy-3-propan-2-ylphenyl)methanol is Cc1cc(O[Si](C(C)C)(C(C)C)C(C)C)cc(C)c1C(O)c1ccc(OCc2ccccc2)c(C(C)C)c1.
What is the InChIKey of [2,6-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-(4-phenylmethoxy-3-propan-2-ylphenyl)methanol?
The InChIKey is LCBSZYUQWNSTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H48O3Si/c1-22(2)31-20-29(16-17-32(31)36-21-28-14-12-11-13-15-28)34(35)33-26(9)18-30(19-27(33)10)37-38(23(3)4,24(5)6)25(7)8/h11-20,22-25,34-35H,21H2,1-10H3.
What are the key properties of [2,6-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-(4-phenylmethoxy-3-propan-2-ylphenyl)methanol?
[2,6-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-(4-phenylmethoxy-3-propan-2-ylphenyl)methanol has a molecular weight of 532.84 g/mol, XLogP of 9.64, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-(4-phenylmethoxy-3-propan-2-ylphenyl)methanol is sourced from PubChem (CID 175768889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).