(4-methoxy-2-methylphenyl)-di(propan-2-yl)bismuthane

C14H23BiO — CID 22382274

IUPAC(4-methoxy-2-methylphenyl)-di(propan-2-yl)bismuthane
SMILESCOc1ccc([Bi](C(C)C)C(C)C)c(C)c1
InChIInChI=1S/C8H9O.2C3H7.Bi/c1-7-4-3-5-8(6-7)9-2;2*1-3-2;/h3,5-6H,1-2H3;2*3H,1-2H3;
InChIKeyCRSMFZRCGITDGG-UHFFFAOYSA-N
MW416.32 g/mol
LogP3.53
Rot. Bonds4

About (4-methoxy-2-methylphenyl)-di(propan-2-yl)bismuthane

(4-methoxy-2-methylphenyl)-di(propan-2-yl)bismuthane (PubChem CID 22382274) has the molecular formula C14H23BiO and a molecular weight of 416.32 g/mol. Its IUPAC name is (4-methoxy-2-methylphenyl)-di(propan-2-yl)bismuthane.

Molecular Properties

Compound Name(4-methoxy-2-methylphenyl)-di(propan-2-yl)bismuthane
PubChem CID22382274
Molecular FormulaC14H23BiO
Molecular Weight416.32 g/mol
Exact Mass416.16
IUPAC Name(4-methoxy-2-methylphenyl)-di(propan-2-yl)bismuthane
SMILESCOc1ccc([Bi](C(C)C)C(C)C)c(C)c1
InChIInChI=1S/C8H9O.2C3H7.Bi/c1-7-4-3-5-8(6-7)9-2;2*1-3-2;/h3,5-6H,1-2H3;2*3H,1-2H3;
InChIKeyCRSMFZRCGITDGG-UHFFFAOYSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.32
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-methoxy-2-methyl-1-[1,2,2-tris(4-methoxy-2-methylphenyl)ethenyl]benzene
CID 102177256
1-(4-methoxy-2-methylphenyl)-3-methylbutan-1-one
CID 65313814
4-methoxy-2-methyl-N-[(2S)-3-methylbutan-2-yl]aniline
CID 94885289
4-methoxy-2-methyl-1-prop-1-en-2-ylbenzene
CID 90442837
1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-one
CID 65313346
ethene;4-methoxy-1,2-dimethylbenzene
CID 145003805
formaldehyde;4-methoxy-1,2-dimethylbenzene
CID 157089381
2-cyclopropyl-1-(4-methoxy-2-methylphenyl)propan-1-one
CID 114965532
(2R)-1-(4-methoxy-2-methylphenyl)propan-2-ol
CID 97009148
2-amino-1-(4-methoxy-2-methylphenyl)-3-methylpentan-1-one
CID 116552805
2-(aminomethyl)-1-(4-methoxy-2-methylphenyl)-3-methylbutan-1-one
CID 116573984
1-methoxypropan-2-yl 4-methoxy-2-methylbenzoate
CID 71987996

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2-methylphenyl)-di(propan-2-yl)bismuthane?
The IUPAC name of (4-methoxy-2-methylphenyl)-di(propan-2-yl)bismuthane (CID 22382274) is (4-methoxy-2-methylphenyl)-di(propan-2-yl)bismuthane.
What is the SMILES notation for (4-methoxy-2-methylphenyl)-di(propan-2-yl)bismuthane?
The canonical SMILES for (4-methoxy-2-methylphenyl)-di(propan-2-yl)bismuthane is COc1ccc([Bi](C(C)C)C(C)C)c(C)c1.
What is the InChIKey of (4-methoxy-2-methylphenyl)-di(propan-2-yl)bismuthane?
The InChIKey is CRSMFZRCGITDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9O.2C3H7.Bi/c1-7-4-3-5-8(6-7)9-2;2*1-3-2;/h3,5-6H,1-2H3;2*3H,1-2H3;.
What are the key properties of (4-methoxy-2-methylphenyl)-di(propan-2-yl)bismuthane?
(4-methoxy-2-methylphenyl)-di(propan-2-yl)bismuthane has a molecular weight of 416.32 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2-methylphenyl)-di(propan-2-yl)bismuthane is sourced from PubChem (CID 22382274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).