1-[4-[3-[methyl(diphenyl)silyl]oxypropyl]phenoxy]-3-(4-methylphenoxy)propan-2-one

C32H34O4Si — CID 20820592

IUPAC1-[4-[3-[methyl(diphenyl)silyl]oxypropyl]phenoxy]-3-(4-methylphenoxy)propan-2-one
SMILESCc1ccc(OCC(=O)COc2ccc(CCCO[Si](C)(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C32H34O4Si/c1-26-15-19-29(20-16-26)34-24-28(33)25-35-30-21-17-27(18-22-30)10-9-23-36-37(2,31-11-5-3-6-12-31)32-13-7-4-8-14-32/h3-8,11-22H,9-10,23-25H2,1-2H3
InChIKeyOXTRTDMBDWKAFW-UHFFFAOYSA-N
MW510.71 g/mol
LogP5.36
Rot. Bonds13

About 1-[4-[3-[methyl(diphenyl)silyl]oxypropyl]phenoxy]-3-(4-methylphenoxy)propan-2-one

1-[4-[3-[methyl(diphenyl)silyl]oxypropyl]phenoxy]-3-(4-methylphenoxy)propan-2-one (PubChem CID 20820592) has the molecular formula C32H34O4Si and a molecular weight of 510.71 g/mol. Its IUPAC name is 1-[4-[3-[methyl(diphenyl)silyl]oxypropyl]phenoxy]-3-(4-methylphenoxy)propan-2-one.

Molecular Properties

Compound Name1-[4-[3-[methyl(diphenyl)silyl]oxypropyl]phenoxy]-3-(4-methylphenoxy)propan-2-one
PubChem CID20820592
Molecular FormulaC32H34O4Si
Molecular Weight510.71 g/mol
Exact Mass510.22
IUPAC Name1-[4-[3-[methyl(diphenyl)silyl]oxypropyl]phenoxy]-3-(4-methylphenoxy)propan-2-one
SMILESCc1ccc(OCC(=O)COc2ccc(CCCO[Si](C)(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C32H34O4Si/c1-26-15-19-29(20-16-26)34-24-28(33)25-35-30-21-17-27(18-22-30)10-9-23-36-37(2,31-11-5-3-6-12-31)32-13-7-4-8-14-32/h3-8,11-22H,9-10,23-25H2,1-2H3
InChIKeyOXTRTDMBDWKAFW-UHFFFAOYSA-N
XLogP5.36
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.71
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-3-[4-[3-[methyl(diphenyl)silyl]oxypropyl]phenoxy]-1-(4-methylphenoxy)butan-2-ol;methyl-[3-[4-[2-(oxiran-2-yl)propan-2-yloxy]phenyl]propoxy]-diphenylsilane;4-methylphenol
CID 91231412
4-[2-[methyl(diphenyl)silyl]oxyethoxy]benzoic acid
CID 22949908
2-[4-(3-phenylpropyl)phenoxy]acetic acid
CID 101304204
1-methyl-4-(5-phenoxypentyl)benzene
CID 19755668
1,8-bis(4-methylphenoxy)octane-2,7-dione
CID 139326266
2-[4-[3-[4,4-dimethyl-1-(4-methylphenyl)-5-oxopyrazol-3-yl]propyl]phenoxy]acetic acid
CID 129254344
1-methyl-4-[3-(4-methylphenoxy)propyl]benzene;2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 170966340
2-[2-(4-methylphenoxy)acetyl]oxyethyl 2-(4-methylphenoxy)acetate
CID 90306782
1-methyl-4-(2-phenylethoxy)benzene;dihydrochloride
CID 174678575
(4-methylphenyl)methyl 3-phenylpropyl carbonate
CID 22889315
1-(methylamino)-3-[3-(4-methylphenyl)propoxy]propan-2-one
CID 171071287
N-[3-(4-methoxyphenyl)propyl]-2-(4-methylphenoxy)acetamide
CID 93165804

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[methyl(diphenyl)silyl]oxypropyl]phenoxy]-3-(4-methylphenoxy)propan-2-one?
The IUPAC name of 1-[4-[3-[methyl(diphenyl)silyl]oxypropyl]phenoxy]-3-(4-methylphenoxy)propan-2-one (CID 20820592) is 1-[4-[3-[methyl(diphenyl)silyl]oxypropyl]phenoxy]-3-(4-methylphenoxy)propan-2-one.
What is the SMILES notation for 1-[4-[3-[methyl(diphenyl)silyl]oxypropyl]phenoxy]-3-(4-methylphenoxy)propan-2-one?
The canonical SMILES for 1-[4-[3-[methyl(diphenyl)silyl]oxypropyl]phenoxy]-3-(4-methylphenoxy)propan-2-one is Cc1ccc(OCC(=O)COc2ccc(CCCO[Si](C)(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 1-[4-[3-[methyl(diphenyl)silyl]oxypropyl]phenoxy]-3-(4-methylphenoxy)propan-2-one?
The InChIKey is OXTRTDMBDWKAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34O4Si/c1-26-15-19-29(20-16-26)34-24-28(33)25-35-30-21-17-27(18-22-30)10-9-23-36-37(2,31-11-5-3-6-12-31)32-13-7-4-8-14-32/h3-8,11-22H,9-10,23-25H2,1-2H3.
What are the key properties of 1-[4-[3-[methyl(diphenyl)silyl]oxypropyl]phenoxy]-3-(4-methylphenoxy)propan-2-one?
1-[4-[3-[methyl(diphenyl)silyl]oxypropyl]phenoxy]-3-(4-methylphenoxy)propan-2-one has a molecular weight of 510.71 g/mol, XLogP of 5.36, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[methyl(diphenyl)silyl]oxypropyl]phenoxy]-3-(4-methylphenoxy)propan-2-one is sourced from PubChem (CID 20820592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).