(3-bromo-5-propoxyphenyl)-trimethoxysilane

C12H19BrO4Si — CID 59244027

IUPAC(3-bromo-5-propoxyphenyl)-trimethoxysilane
SMILESCCCOc1cc(Br)cc([Si](OC)(OC)OC)c1
InChIInChI=1S/C12H19BrO4Si/c1-5-6-17-11-7-10(13)8-12(9-11)18(14-2,15-3)16-4/h7-9H,5-6H2,1-4H3
InChIKeyQRVPCWSBKOLQRO-UHFFFAOYSA-N
MW335.27 g/mol
LogP2.32
Rot. Bonds7

About (3-bromo-5-propoxyphenyl)-trimethoxysilane

(3-bromo-5-propoxyphenyl)-trimethoxysilane (PubChem CID 59244027) has the molecular formula C12H19BrO4Si and a molecular weight of 335.27 g/mol. Its IUPAC name is (3-bromo-5-propoxyphenyl)-trimethoxysilane.

Molecular Properties

Compound Name(3-bromo-5-propoxyphenyl)-trimethoxysilane
PubChem CID59244027
Molecular FormulaC12H19BrO4Si
Molecular Weight335.27 g/mol
Exact Mass334.02
IUPAC Name(3-bromo-5-propoxyphenyl)-trimethoxysilane
SMILESCCCOc1cc(Br)cc([Si](OC)(OC)OC)c1
InChIInChI=1S/C12H19BrO4Si/c1-5-6-17-11-7-10(13)8-12(9-11)18(14-2,15-3)16-4/h7-9H,5-6H2,1-4H3
InChIKeyQRVPCWSBKOLQRO-UHFFFAOYSA-N
XLogP2.32
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.27
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3-bromo-5-propoxyphenyl)-trimethoxysilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-dibromo-5-propoxybenzene
CID 58270933
(11,23-dibromo-25,26,27,28-tetrapropoxy-17-trimethylsilyl-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)-trimethylsilane
CID 121199260
1-bromo-3,5-diethoxybenzene
CID 150473293
1-bromo-3-fluoro-5-pentoxybenzene
CID 79015676
5,11,17,23-tetrabromo-25,26,27,28-tetrapropoxy-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene
CID 11309135
3-bromo-5-octoxyaniline
CID 103588114
(3,5-dipropoxyphenoxy)-trimethylsilane
CID 91732551
2-(3,5-dibromophenoxy)ethanol
CID 125479638
3-bromo-5-(2-methoxyethoxy)aniline
CID 103588174
CID 10747711
CID 10747711
1-ethyl-3-methoxy-5-propoxybenzene
CID 143260185
4-bromo-7-propoxyquinoline
CID 119087802

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-propoxyphenyl)-trimethoxysilane?
The IUPAC name of (3-bromo-5-propoxyphenyl)-trimethoxysilane (CID 59244027) is (3-bromo-5-propoxyphenyl)-trimethoxysilane.
What is the SMILES notation for (3-bromo-5-propoxyphenyl)-trimethoxysilane?
The canonical SMILES for (3-bromo-5-propoxyphenyl)-trimethoxysilane is CCCOc1cc(Br)cc([Si](OC)(OC)OC)c1.
What is the InChIKey of (3-bromo-5-propoxyphenyl)-trimethoxysilane?
The InChIKey is QRVPCWSBKOLQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrO4Si/c1-5-6-17-11-7-10(13)8-12(9-11)18(14-2,15-3)16-4/h7-9H,5-6H2,1-4H3.
What are the key properties of (3-bromo-5-propoxyphenyl)-trimethoxysilane?
(3-bromo-5-propoxyphenyl)-trimethoxysilane has a molecular weight of 335.27 g/mol, XLogP of 2.32, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-propoxyphenyl)-trimethoxysilane is sourced from PubChem (CID 59244027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).