chloro-tetrakis(2-methoxy-5-methylphenyl)bismuth

C32H36BiClO4 — CID 10652517

IUPACchloro-tetrakis(2-methoxy-5-methylphenyl)bismuth
SMILESCOc1ccc(C)cc1[Bi](Cl)(c1cc(C)ccc1OC)(c1cc(C)ccc1OC)c1cc(C)ccc1OC
InChIInChI=1S/4C8H9O.Bi.ClH/c4*1-7-3-5-8(9-2)6-4-7;;/h4*3-5H,1-2H3;;1H/q;;;;+1;/p-1
InChIKeyNJDUGIULPZBUNA-UHFFFAOYSA-M
MW729.07 g/mol
LogP5.02
Rot. Bonds8

About chloro-tetrakis(2-methoxy-5-methylphenyl)bismuth

chloro-tetrakis(2-methoxy-5-methylphenyl)bismuth (PubChem CID 10652517) has the molecular formula C32H36BiClO4 and a molecular weight of 729.07 g/mol. Its IUPAC name is chloro-tetrakis(2-methoxy-5-methylphenyl)bismuth.

Molecular Properties

Compound Namechloro-tetrakis(2-methoxy-5-methylphenyl)bismuth
PubChem CID10652517
Molecular FormulaC32H36BiClO4
Molecular Weight729.07 g/mol
Exact Mass728.21
IUPAC Namechloro-tetrakis(2-methoxy-5-methylphenyl)bismuth
SMILESCOc1ccc(C)cc1[Bi](Cl)(c1cc(C)ccc1OC)(c1cc(C)ccc1OC)c1cc(C)ccc1OC
InChIInChI=1S/4C8H9O.Bi.ClH/c4*1-7-3-5-8(9-2)6-4-7;;/h4*3-5H,1-2H3;;1H/q;;;;+1;/p-1
InChIKeyNJDUGIULPZBUNA-UHFFFAOYSA-M
XLogP5.02
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.07
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methoxy-5-methylphenyl) thiohypochlorite
CID 117036074
1-methoxy-2,4-dimethyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 169444379
CID 175002505
CID 175002505
O-(2-methoxy-4-methylphenyl)hydroxylamine
CID 56611281
1-methoxy-2,4-dimethylbenzene;propane
CID 54037455
(2-methoxy-5-methylphenyl)boronic acid
CID 2773485
1-(3-chloropropoxy)-2-methoxy-4-methylbenzene
CID 23036323
2-(disulfanyl)-1-methoxy-4-methylbenzene
CID 117033813
S-(2-methoxy-5-methylphenyl)thiohydroxylamine
CID 117033753
1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrole
CID 39243590
CID 131844912
CID 131844912
2-(1-chloropropan-2-yl)-1-methoxy-4-methylbenzene
CID 13450101

Frequently Asked Questions

What is the IUPAC name of chloro-tetrakis(2-methoxy-5-methylphenyl)bismuth?
The IUPAC name of chloro-tetrakis(2-methoxy-5-methylphenyl)bismuth (CID 10652517) is chloro-tetrakis(2-methoxy-5-methylphenyl)bismuth.
What is the SMILES notation for chloro-tetrakis(2-methoxy-5-methylphenyl)bismuth?
The canonical SMILES for chloro-tetrakis(2-methoxy-5-methylphenyl)bismuth is COc1ccc(C)cc1[Bi](Cl)(c1cc(C)ccc1OC)(c1cc(C)ccc1OC)c1cc(C)ccc1OC.
What is the InChIKey of chloro-tetrakis(2-methoxy-5-methylphenyl)bismuth?
The InChIKey is NJDUGIULPZBUNA-UHFFFAOYSA-M. The full InChI is InChI=1S/4C8H9O.Bi.ClH/c4*1-7-3-5-8(9-2)6-4-7;;/h4*3-5H,1-2H3;;1H/q;;;;+1;/p-1.
What are the key properties of chloro-tetrakis(2-methoxy-5-methylphenyl)bismuth?
chloro-tetrakis(2-methoxy-5-methylphenyl)bismuth has a molecular weight of 729.07 g/mol, XLogP of 5.02, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-tetrakis(2-methoxy-5-methylphenyl)bismuth is sourced from PubChem (CID 10652517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).