4-[4-[4-(1-methoxyethoxy)phenyl]-6-[4-[1-(trimethylsilylmethoxy)ethoxy]phenyl]octan-2-yl]phenol

C35H50O5Si — CID 59058324

IUPAC4-[4-[4-(1-methoxyethoxy)phenyl]-6-[4-[1-(trimethylsilylmethoxy)ethoxy]phenyl]octan-2-yl]phenol
SMILESCCC(CC(CC(C)c1ccc(O)cc1)c1ccc(OC(C)OC)cc1)c1ccc(OC(C)OC[Si](C)(C)C)cc1
InChIInChI=1S/C35H50O5Si/c1-9-28(30-12-18-35(19-13-30)40-27(4)38-24-41(6,7)8)23-32(22-25(2)29-10-16-33(36)17-11-29)31-14-20-34(21-15-31)39-26(3)37-5/h10-21,25-28,32,36H,9,22-24H2,1-8H3
InChIKeyIVODWAPIGQSPDY-UHFFFAOYSA-N
MW578.87 g/mol
LogP9.24
Rot. Bonds16

About 4-[4-[4-(1-methoxyethoxy)phenyl]-6-[4-[1-(trimethylsilylmethoxy)ethoxy]phenyl]octan-2-yl]phenol

4-[4-[4-(1-methoxyethoxy)phenyl]-6-[4-[1-(trimethylsilylmethoxy)ethoxy]phenyl]octan-2-yl]phenol (PubChem CID 59058324) has the molecular formula C35H50O5Si and a molecular weight of 578.87 g/mol. Its IUPAC name is 4-[4-[4-(1-methoxyethoxy)phenyl]-6-[4-[1-(trimethylsilylmethoxy)ethoxy]phenyl]octan-2-yl]phenol.

Molecular Properties

Compound Name4-[4-[4-(1-methoxyethoxy)phenyl]-6-[4-[1-(trimethylsilylmethoxy)ethoxy]phenyl]octan-2-yl]phenol
PubChem CID59058324
Molecular FormulaC35H50O5Si
Molecular Weight578.87 g/mol
Exact Mass578.34
IUPAC Name4-[4-[4-(1-methoxyethoxy)phenyl]-6-[4-[1-(trimethylsilylmethoxy)ethoxy]phenyl]octan-2-yl]phenol
SMILESCCC(CC(CC(C)c1ccc(O)cc1)c1ccc(OC(C)OC)cc1)c1ccc(OC(C)OC[Si](C)(C)C)cc1
InChIInChI=1S/C35H50O5Si/c1-9-28(30-12-18-35(19-13-30)40-27(4)38-24-41(6,7)8)23-32(22-25(2)29-10-16-33(36)17-11-29)31-14-20-34(21-15-31)39-26(3)37-5/h10-21,25-28,32,36H,9,22-24H2,1-8H3
InChIKeyIVODWAPIGQSPDY-UHFFFAOYSA-N
XLogP9.24
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.87
LogP ≤ 59.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[4-[4-(1-ethoxyethoxy)phenyl]hexan-2-yl]phenol
CID 23556512
4-[4-[4-(1-hydroxyethoxy)phenyl]-6-[4-(1-propoxyethoxy)phenyl]octan-2-yl]phenol
CID 54358686
4-[5-(4-methoxyphenyl)hexan-3-yl]phenol
CID 20681979
2-[4-[4-[4-(1-ethoxyethoxy)phenyl]-6-(4-hydroxyphenyl)octan-2-yl]phenoxy]-1-morpholin-4-ylethanone
CID 20702512
2-[1-[4-[5-(4-propan-2-yloxyphenyl)hexan-3-yl]phenoxy]ethoxy]ethanol
CID 145290862
tert-butyl [4-[5-[4-(1-ethoxyethoxy)phenyl]-9-(4-ethylphenyl)-7,11-bis(4-hydroxyphenyl)dodecan-3-yl]phenyl] carbonate
CID 22088342
4-[4-(4-tert-butylphenyl)-8-[4-[1-(2-cyclohexylethoxy)ethoxy]phenyl]-6-(4-propan-2-yloxyphenyl)decan-2-yl]phenol
CID 20758424
2-[4-[4-(1-ethoxyethoxy)phenyl]-2-(4-hydroxyphenyl)pentyl]-3-methylbutanedinitrile;methyl 2-[4-[4-(4-hydroxyphenyl)-6-phenyloctan-2-yl]phenoxy]acetate
CID 91138259
2-[3-[4-(1-ethoxyethoxy)phenyl]-1-(4-hydroxyphenyl)pentyl]-3-methylbutanedinitrile
CID 20725431
4-[4-(4-chlorophenyl)hexan-2-yl]phenol
CID 130398550
tert-butyl 6-[4-(1-butoxyethoxy)phenyl]-2-ethyl-4-(4-hydroxyphenyl)heptanoate
CID 156673787
[4-[2-(4-hydroxyphenyl)-6-phenyloctan-4-yl]phenyl] 2,2-dimethylpropanoate
CID 54232468

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(1-methoxyethoxy)phenyl]-6-[4-[1-(trimethylsilylmethoxy)ethoxy]phenyl]octan-2-yl]phenol?
The IUPAC name of 4-[4-[4-(1-methoxyethoxy)phenyl]-6-[4-[1-(trimethylsilylmethoxy)ethoxy]phenyl]octan-2-yl]phenol (CID 59058324) is 4-[4-[4-(1-methoxyethoxy)phenyl]-6-[4-[1-(trimethylsilylmethoxy)ethoxy]phenyl]octan-2-yl]phenol.
What is the SMILES notation for 4-[4-[4-(1-methoxyethoxy)phenyl]-6-[4-[1-(trimethylsilylmethoxy)ethoxy]phenyl]octan-2-yl]phenol?
The canonical SMILES for 4-[4-[4-(1-methoxyethoxy)phenyl]-6-[4-[1-(trimethylsilylmethoxy)ethoxy]phenyl]octan-2-yl]phenol is CCC(CC(CC(C)c1ccc(O)cc1)c1ccc(OC(C)OC)cc1)c1ccc(OC(C)OC[Si](C)(C)C)cc1.
What is the InChIKey of 4-[4-[4-(1-methoxyethoxy)phenyl]-6-[4-[1-(trimethylsilylmethoxy)ethoxy]phenyl]octan-2-yl]phenol?
The InChIKey is IVODWAPIGQSPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H50O5Si/c1-9-28(30-12-18-35(19-13-30)40-27(4)38-24-41(6,7)8)23-32(22-25(2)29-10-16-33(36)17-11-29)31-14-20-34(21-15-31)39-26(3)37-5/h10-21,25-28,32,36H,9,22-24H2,1-8H3.
What are the key properties of 4-[4-[4-(1-methoxyethoxy)phenyl]-6-[4-[1-(trimethylsilylmethoxy)ethoxy]phenyl]octan-2-yl]phenol?
4-[4-[4-(1-methoxyethoxy)phenyl]-6-[4-[1-(trimethylsilylmethoxy)ethoxy]phenyl]octan-2-yl]phenol has a molecular weight of 578.87 g/mol, XLogP of 9.24, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(1-methoxyethoxy)phenyl]-6-[4-[1-(trimethylsilylmethoxy)ethoxy]phenyl]octan-2-yl]phenol is sourced from PubChem (CID 59058324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).