[3-[3-[(4-ethoxyphenyl)-dimethylsilyl]propyl]phenyl]-phenylmethanone

C26H30O2Si — CID 15622142

IUPAC[3-[3-[(4-ethoxyphenyl)-dimethylsilyl]propyl]phenyl]-phenylmethanone
SMILESCCOc1ccc([Si](C)(C)CCCc2cccc(C(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C26H30O2Si/c1-4-28-24-15-17-25(18-16-24)29(2,3)19-9-11-21-10-8-14-23(20-21)26(27)22-12-6-5-7-13-22/h5-8,10,12-18,20H,4,9,11,19H2,1-3H3
InChIKeyWQHGRMQQWQIBQX-UHFFFAOYSA-N
MW402.61 g/mol
LogP5.86
Rot. Bonds9

About [3-[3-[(4-ethoxyphenyl)-dimethylsilyl]propyl]phenyl]-phenylmethanone

[3-[3-[(4-ethoxyphenyl)-dimethylsilyl]propyl]phenyl]-phenylmethanone (PubChem CID 15622142) has the molecular formula C26H30O2Si and a molecular weight of 402.61 g/mol. Its IUPAC name is [3-[3-[(4-ethoxyphenyl)-dimethylsilyl]propyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[3-[3-[(4-ethoxyphenyl)-dimethylsilyl]propyl]phenyl]-phenylmethanone
PubChem CID15622142
Molecular FormulaC26H30O2Si
Molecular Weight402.61 g/mol
Exact Mass402.20
IUPAC Name[3-[3-[(4-ethoxyphenyl)-dimethylsilyl]propyl]phenyl]-phenylmethanone
SMILESCCOc1ccc([Si](C)(C)CCCc2cccc(C(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C26H30O2Si/c1-4-28-24-15-17-25(18-16-24)29(2,3)19-9-11-21-10-8-14-23(20-21)26(27)22-12-6-5-7-13-22/h5-8,10,12-18,20H,4,9,11,19H2,1-3H3
InChIKeyWQHGRMQQWQIBQX-UHFFFAOYSA-N
XLogP5.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.61
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-ethoxyphenyl)-dimethyl-[3-(6-phenoxy-2-pyridinyl)propyl]silane
CID 15622120
(3-bromophenyl)-(4-ethoxyphenyl)methanone
CID 24723180
[3-(2-methoxyethyl)phenyl]-phenylmethanone
CID 91307514
(4-ethoxyphenyl)-dimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane
CID 14601760
3-(3-benzoylphenyl)propane-1-sulfonic acid
CID 142913640
(4-ethoxyphenyl)-(3-methylsulfonylphenyl)methanone
CID 43338379
[2-(4-ethoxyphenyl)-2-oxoethyl] 4-benzoylbenzoate
CID 7203723
3-[2-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]ethyl]benzoic acid
CID 120535479
4-ethoxy-N-[3-(3-methoxyphenyl)propyl]benzamide
CID 95172520
benzamide;1,4-diethoxybenzene
CID 162120306
N-[2-(4-ethoxyphenyl)ethyl]benzamide
CID 110788107
(3-propoxyphenyl)-(3-propylphenyl)methanone
CID 115812256

Frequently Asked Questions

What is the IUPAC name of [3-[3-[(4-ethoxyphenyl)-dimethylsilyl]propyl]phenyl]-phenylmethanone?
The IUPAC name of [3-[3-[(4-ethoxyphenyl)-dimethylsilyl]propyl]phenyl]-phenylmethanone (CID 15622142) is [3-[3-[(4-ethoxyphenyl)-dimethylsilyl]propyl]phenyl]-phenylmethanone.
What is the SMILES notation for [3-[3-[(4-ethoxyphenyl)-dimethylsilyl]propyl]phenyl]-phenylmethanone?
The canonical SMILES for [3-[3-[(4-ethoxyphenyl)-dimethylsilyl]propyl]phenyl]-phenylmethanone is CCOc1ccc([Si](C)(C)CCCc2cccc(C(=O)c3ccccc3)c2)cc1.
What is the InChIKey of [3-[3-[(4-ethoxyphenyl)-dimethylsilyl]propyl]phenyl]-phenylmethanone?
The InChIKey is WQHGRMQQWQIBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O2Si/c1-4-28-24-15-17-25(18-16-24)29(2,3)19-9-11-21-10-8-14-23(20-21)26(27)22-12-6-5-7-13-22/h5-8,10,12-18,20H,4,9,11,19H2,1-3H3.
What are the key properties of [3-[3-[(4-ethoxyphenyl)-dimethylsilyl]propyl]phenyl]-phenylmethanone?
[3-[3-[(4-ethoxyphenyl)-dimethylsilyl]propyl]phenyl]-phenylmethanone has a molecular weight of 402.61 g/mol, XLogP of 5.86, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[(4-ethoxyphenyl)-dimethylsilyl]propyl]phenyl]-phenylmethanone is sourced from PubChem (CID 15622142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).