[2-(methoxymethoxy)-5-[phenylmethoxy-di(propan-2-yl)silyl]phenyl]-(4-methoxyphenyl)methanone

C29H36O5Si — CID 10767460

IUPAC[2-(methoxymethoxy)-5-[phenylmethoxy-di(propan-2-yl)silyl]phenyl]-(4-methoxyphenyl)methanone
SMILESCOCOc1ccc([Si](OCc2ccccc2)(C(C)C)C(C)C)cc1C(=O)c1ccc(OC)cc1
InChIInChI=1S/C29H36O5Si/c1-21(2)35(22(3)4,34-19-23-10-8-7-9-11-23)26-16-17-28(33-20-31-5)27(18-26)29(30)24-12-14-25(32-6)15-13-24/h7-18,21-22H,19-20H2,1-6H3
InChIKeyAOFJSAFXVWHOOG-UHFFFAOYSA-N
MW492.69 g/mol
LogP6.10
Rot. Bonds12

About [2-(methoxymethoxy)-5-[phenylmethoxy-di(propan-2-yl)silyl]phenyl]-(4-methoxyphenyl)methanone

[2-(methoxymethoxy)-5-[phenylmethoxy-di(propan-2-yl)silyl]phenyl]-(4-methoxyphenyl)methanone (PubChem CID 10767460) has the molecular formula C29H36O5Si and a molecular weight of 492.69 g/mol. Its IUPAC name is [2-(methoxymethoxy)-5-[phenylmethoxy-di(propan-2-yl)silyl]phenyl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(methoxymethoxy)-5-[phenylmethoxy-di(propan-2-yl)silyl]phenyl]-(4-methoxyphenyl)methanone
PubChem CID10767460
Molecular FormulaC29H36O5Si
Molecular Weight492.69 g/mol
Exact Mass492.23
IUPAC Name[2-(methoxymethoxy)-5-[phenylmethoxy-di(propan-2-yl)silyl]phenyl]-(4-methoxyphenyl)methanone
SMILESCOCOc1ccc([Si](OCc2ccccc2)(C(C)C)C(C)C)cc1C(=O)c1ccc(OC)cc1
InChIInChI=1S/C29H36O5Si/c1-21(2)35(22(3)4,34-19-23-10-8-7-9-11-23)26-16-17-28(33-20-31-5)27(18-26)29(30)24-12-14-25(32-6)15-13-24/h7-18,21-22H,19-20H2,1-6H3
InChIKeyAOFJSAFXVWHOOG-UHFFFAOYSA-N
XLogP6.10
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.69
LogP ≤ 56.10
H-Bond Donors ≤ 50
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

1-[2-(4-methoxybenzoyl)-4-[phenylmethoxy-di(propan-2-yl)silyl]phenoxy]-3,3-dimethylbutan-2-one
CID 10650249
[4-(methoxymethoxy)phenyl]-phenylmethoxy-di(propan-2-yl)silane
CID 10666134
(4-hydroxyphenyl)-[5-methoxy-2-(methoxymethoxy)phenyl]methanone
CID 68911946
[3-methoxy-2-(methoxymethoxy)phenyl]-(4-phenylmethoxyphenyl)methanone
CID 68911244
2-(methoxymethoxy)-N-phenyl-5-[tri(propan-2-yl)silyloxymethyl]benzamide
CID 12024008
4-[[2,4-dibenzoyl-5-[(4-methoxyphenyl)methoxy]phenoxy]methyl]benzonitrile
CID 10325338
(4-methoxyphenyl)methyl N-[3-benzoyl-4-[[4-(bromomethyl)phenyl]methoxy]benzenecarboximidoyl]carbamate
CID 152771225
3,5-bis(methoxymethoxy)-4-phenylmethoxybenzoic acid
CID 24899884
methyl 5-methoxy-2-(methoxymethoxy)-4-phenylmethoxybenzoate
CID 10936482
(5-methoxy-2-pyridin-2-yloxyphenyl)-phenylmethanone
CID 154487334
(4-methoxyphenyl)-(2-propan-2-ylphenyl)methanone
CID 23404431
propan-2-yl 4-methoxy-3-phenylmethoxybenzoate
CID 82186215

Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethoxy)-5-[phenylmethoxy-di(propan-2-yl)silyl]phenyl]-(4-methoxyphenyl)methanone?
The IUPAC name of [2-(methoxymethoxy)-5-[phenylmethoxy-di(propan-2-yl)silyl]phenyl]-(4-methoxyphenyl)methanone (CID 10767460) is [2-(methoxymethoxy)-5-[phenylmethoxy-di(propan-2-yl)silyl]phenyl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [2-(methoxymethoxy)-5-[phenylmethoxy-di(propan-2-yl)silyl]phenyl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [2-(methoxymethoxy)-5-[phenylmethoxy-di(propan-2-yl)silyl]phenyl]-(4-methoxyphenyl)methanone is COCOc1ccc([Si](OCc2ccccc2)(C(C)C)C(C)C)cc1C(=O)c1ccc(OC)cc1.
What is the InChIKey of [2-(methoxymethoxy)-5-[phenylmethoxy-di(propan-2-yl)silyl]phenyl]-(4-methoxyphenyl)methanone?
The InChIKey is AOFJSAFXVWHOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36O5Si/c1-21(2)35(22(3)4,34-19-23-10-8-7-9-11-23)26-16-17-28(33-20-31-5)27(18-26)29(30)24-12-14-25(32-6)15-13-24/h7-18,21-22H,19-20H2,1-6H3.
What are the key properties of [2-(methoxymethoxy)-5-[phenylmethoxy-di(propan-2-yl)silyl]phenyl]-(4-methoxyphenyl)methanone?
[2-(methoxymethoxy)-5-[phenylmethoxy-di(propan-2-yl)silyl]phenyl]-(4-methoxyphenyl)methanone has a molecular weight of 492.69 g/mol, XLogP of 6.10, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethoxy)-5-[phenylmethoxy-di(propan-2-yl)silyl]phenyl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 10767460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).