[3-chloro-5-tri(propan-2-yl)silyloxyphenyl]-(2,4-dichlorophenyl)methanone

C22H27Cl3O2Si — CID 135018444

IUPAC[3-chloro-5-tri(propan-2-yl)silyloxyphenyl]-(2,4-dichlorophenyl)methanone
SMILESCC(C)[Si](Oc1cc(Cl)cc(C(=O)c2ccc(Cl)cc2Cl)c1)(C(C)C)C(C)C
InChIInChI=1S/C22H27Cl3O2Si/c1-13(2)28(14(3)4,15(5)6)27-19-10-16(9-18(24)11-19)22(26)20-8-7-17(23)12-21(20)25/h7-15H,1-6H3
InChIKeyXFNDYRCAOQORGI-UHFFFAOYSA-N
MW457.90 g/mol
LogP8.43
Rot. Bonds7

About [3-chloro-5-tri(propan-2-yl)silyloxyphenyl]-(2,4-dichlorophenyl)methanone

[3-chloro-5-tri(propan-2-yl)silyloxyphenyl]-(2,4-dichlorophenyl)methanone (PubChem CID 135018444) has the molecular formula C22H27Cl3O2Si and a molecular weight of 457.90 g/mol. Its IUPAC name is [3-chloro-5-tri(propan-2-yl)silyloxyphenyl]-(2,4-dichlorophenyl)methanone.

Molecular Properties

Compound Name[3-chloro-5-tri(propan-2-yl)silyloxyphenyl]-(2,4-dichlorophenyl)methanone
PubChem CID135018444
Molecular FormulaC22H27Cl3O2Si
Molecular Weight457.90 g/mol
Exact Mass456.08
IUPAC Name[3-chloro-5-tri(propan-2-yl)silyloxyphenyl]-(2,4-dichlorophenyl)methanone
SMILESCC(C)[Si](Oc1cc(Cl)cc(C(=O)c2ccc(Cl)cc2Cl)c1)(C(C)C)C(C)C
InChIInChI=1S/C22H27Cl3O2Si/c1-13(2)28(14(3)4,15(5)6)27-19-10-16(9-18(24)11-19)22(26)20-8-7-17(23)12-21(20)25/h7-15H,1-6H3
InChIKeyXFNDYRCAOQORGI-UHFFFAOYSA-N
XLogP8.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.90
LogP ≤ 58.43
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

(2,4-dichlorophenyl)-(4-propan-2-ylphenyl)methanone
CID 43625036
(2,4-dichlorophenyl)-(3,4,5-trifluorophenyl)methanone
CID 63187591
2-bromo-1-[2-chloro-4-tri(propan-2-yl)silyloxyphenyl]ethanone
CID 86043103
(2,4-dichlorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanone
CID 65299220
(2,4-dichlorophenyl)-(4-hydroxyphenyl)methanone
CID 13453357
(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanone
CID 63492857
(2,4-dichlorophenyl)-(3-propoxyphenyl)methanone
CID 63492692
(2,4-dichlorophenyl)-(3,4-difluorophenyl)methanone
CID 43338229
(2,4-dichlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43344575
(2,4-dichlorophenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 115812297
2,4-dichloro-N'-(4-propan-2-yloxybenzoyl)benzohydrazide
CID 4952081
(2,4-dichlorophenyl)-(5-methylthiophen-3-yl)methanone
CID 114975995

Frequently Asked Questions

What is the IUPAC name of [3-chloro-5-tri(propan-2-yl)silyloxyphenyl]-(2,4-dichlorophenyl)methanone?
The IUPAC name of [3-chloro-5-tri(propan-2-yl)silyloxyphenyl]-(2,4-dichlorophenyl)methanone (CID 135018444) is [3-chloro-5-tri(propan-2-yl)silyloxyphenyl]-(2,4-dichlorophenyl)methanone.
What is the SMILES notation for [3-chloro-5-tri(propan-2-yl)silyloxyphenyl]-(2,4-dichlorophenyl)methanone?
The canonical SMILES for [3-chloro-5-tri(propan-2-yl)silyloxyphenyl]-(2,4-dichlorophenyl)methanone is CC(C)[Si](Oc1cc(Cl)cc(C(=O)c2ccc(Cl)cc2Cl)c1)(C(C)C)C(C)C.
What is the InChIKey of [3-chloro-5-tri(propan-2-yl)silyloxyphenyl]-(2,4-dichlorophenyl)methanone?
The InChIKey is XFNDYRCAOQORGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27Cl3O2Si/c1-13(2)28(14(3)4,15(5)6)27-19-10-16(9-18(24)11-19)22(26)20-8-7-17(23)12-21(20)25/h7-15H,1-6H3.
What are the key properties of [3-chloro-5-tri(propan-2-yl)silyloxyphenyl]-(2,4-dichlorophenyl)methanone?
[3-chloro-5-tri(propan-2-yl)silyloxyphenyl]-(2,4-dichlorophenyl)methanone has a molecular weight of 457.90 g/mol, XLogP of 8.43, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-5-tri(propan-2-yl)silyloxyphenyl]-(2,4-dichlorophenyl)methanone is sourced from PubChem (CID 135018444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).