(3-iodo-6-methoxybiphenylen-2-yl)-trimethylsilane

C16H17IOSi — CID 135016768

IUPAC(3-iodo-6-methoxybiphenylen-2-yl)-trimethylsilane
SMILESCOc1ccc2c(c1)-c1cc(I)c([Si](C)(C)C)cc1-2
InChIInChI=1S/C16H17IOSi/c1-18-10-5-6-11-12(7-10)13-8-15(17)16(9-14(11)13)19(2,3)4/h5-9H,1-4H3
InChIKeyOSPHOJFBZVTFLU-UHFFFAOYSA-N
MW380.30 g/mol
LogP4.49
Rot. Bonds2

About (3-iodo-6-methoxybiphenylen-2-yl)-trimethylsilane

(3-iodo-6-methoxybiphenylen-2-yl)-trimethylsilane (PubChem CID 135016768) has the molecular formula C16H17IOSi and a molecular weight of 380.30 g/mol. Its IUPAC name is (3-iodo-6-methoxybiphenylen-2-yl)-trimethylsilane.

Molecular Properties

Compound Name(3-iodo-6-methoxybiphenylen-2-yl)-trimethylsilane
PubChem CID135016768
Molecular FormulaC16H17IOSi
Molecular Weight380.30 g/mol
Exact Mass380.01
IUPAC Name(3-iodo-6-methoxybiphenylen-2-yl)-trimethylsilane
SMILESCOc1ccc2c(c1)-c1cc(I)c([Si](C)(C)C)cc1-2
InChIInChI=1S/C16H17IOSi/c1-18-10-5-6-11-12(7-10)13-8-15(17)16(9-14(11)13)19(2,3)4/h5-9H,1-4H3
InChIKeyOSPHOJFBZVTFLU-UHFFFAOYSA-N
XLogP4.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.30
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 102100246
5-methoxy-2-[4-[4-(5-methoxy-1,3-dioxoinden-2-ylidene)cyclohexa-2,5-dien-1-ylidene]cyclohexa-2,5-dien-1-ylidene]indene-1,3-dione
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Frequently Asked Questions

What is the IUPAC name of (3-iodo-6-methoxybiphenylen-2-yl)-trimethylsilane?
The IUPAC name of (3-iodo-6-methoxybiphenylen-2-yl)-trimethylsilane (CID 135016768) is (3-iodo-6-methoxybiphenylen-2-yl)-trimethylsilane.
What is the SMILES notation for (3-iodo-6-methoxybiphenylen-2-yl)-trimethylsilane?
The canonical SMILES for (3-iodo-6-methoxybiphenylen-2-yl)-trimethylsilane is COc1ccc2c(c1)-c1cc(I)c([Si](C)(C)C)cc1-2.
What is the InChIKey of (3-iodo-6-methoxybiphenylen-2-yl)-trimethylsilane?
The InChIKey is OSPHOJFBZVTFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IOSi/c1-18-10-5-6-11-12(7-10)13-8-15(17)16(9-14(11)13)19(2,3)4/h5-9H,1-4H3.
What are the key properties of (3-iodo-6-methoxybiphenylen-2-yl)-trimethylsilane?
(3-iodo-6-methoxybiphenylen-2-yl)-trimethylsilane has a molecular weight of 380.30 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-iodo-6-methoxybiphenylen-2-yl)-trimethylsilane is sourced from PubChem (CID 135016768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).