[4-(1-methoxyethyl)phenyl]-diphenylbismuthane

C21H21BiO — CID 167627453

IUPAC[4-(1-methoxyethyl)phenyl]-diphenylbismuthane
SMILESCOC(C)c1ccc([Bi](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C9H11O.2C6H5.Bi/c1-8(10-2)9-6-4-3-5-7-9;2*1-2-4-6-5-3-1;/h4-8H,1-2H3;2*1-5H;
InChIKeyNHUCBWFKSMZSJM-UHFFFAOYSA-N
MW498.38 g/mol
LogP2.91
Rot. Bonds5

About [4-(1-methoxyethyl)phenyl]-diphenylbismuthane

[4-(1-methoxyethyl)phenyl]-diphenylbismuthane (PubChem CID 167627453) has the molecular formula C21H21BiO and a molecular weight of 498.38 g/mol. Its IUPAC name is [4-(1-methoxyethyl)phenyl]-diphenylbismuthane.

Molecular Properties

Compound Name[4-(1-methoxyethyl)phenyl]-diphenylbismuthane
PubChem CID167627453
Molecular FormulaC21H21BiO
Molecular Weight498.38 g/mol
Exact Mass498.14
IUPAC Name[4-(1-methoxyethyl)phenyl]-diphenylbismuthane
SMILESCOC(C)c1ccc([Bi](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C9H11O.2C6H5.Bi/c1-8(10-2)9-6-4-3-5-7-9;2*1-2-4-6-5-3-1;/h4-8H,1-2H3;2*1-5H;
InChIKeyNHUCBWFKSMZSJM-UHFFFAOYSA-N
XLogP2.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.38
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(1R)-1-methoxyethyl]benzenethiol
CID 124500513
1-bromo-4-[(1S)-1-methoxyethyl]benzene
CID 51534481
1-methoxyethylbenzene;methyl formate;propane
CID 161186417
1-tert-butyl-4-(1-methoxyethyl)benzene
CID 15498380
2-[4-(1-methoxyethyl)phenyl]acetic acid
CID 84618183
1-[(1S)-1-methoxyethyl]-4-(trifluoromethyl)benzene
CID 71379545
1-methoxy-4-[4-(1-methoxyethyl)phenyl]benzene
CID 139694053
1-(1-methoxyethyl)-4-[[3-(2-methoxy-2-phenylethoxy)-2-methylpropoxy]methyl]benzene
CID 59464469
1-[4-(1-methoxyethyl)phenyl]ethanone
CID 12735290
N-[2-(1-methoxyethyl)phenyl]acetamide
CID 56609404
1-ethoxy-4-[2-[4-(1-methoxyethyl)phenyl]phenyl]benzene
CID 139694148
2-amino-1-[4-(1-methoxyethyl)phenyl]ethanol
CID 117285517

Frequently Asked Questions

What is the IUPAC name of [4-(1-methoxyethyl)phenyl]-diphenylbismuthane?
The IUPAC name of [4-(1-methoxyethyl)phenyl]-diphenylbismuthane (CID 167627453) is [4-(1-methoxyethyl)phenyl]-diphenylbismuthane.
What is the SMILES notation for [4-(1-methoxyethyl)phenyl]-diphenylbismuthane?
The canonical SMILES for [4-(1-methoxyethyl)phenyl]-diphenylbismuthane is COC(C)c1ccc([Bi](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [4-(1-methoxyethyl)phenyl]-diphenylbismuthane?
The InChIKey is NHUCBWFKSMZSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O.2C6H5.Bi/c1-8(10-2)9-6-4-3-5-7-9;2*1-2-4-6-5-3-1;/h4-8H,1-2H3;2*1-5H;.
What are the key properties of [4-(1-methoxyethyl)phenyl]-diphenylbismuthane?
[4-(1-methoxyethyl)phenyl]-diphenylbismuthane has a molecular weight of 498.38 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methoxyethyl)phenyl]-diphenylbismuthane is sourced from PubChem (CID 167627453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).