1-methoxy-4-[1,2,2-tris(4-methoxyphenyl)cyclopropyl]benzene

C31H30O4 — CID 12846256

IUPAC1-methoxy-4-[1,2,2-tris(4-methoxyphenyl)cyclopropyl]benzene
SMILESCOc1ccc(C2(c3ccc(OC)cc3)CC2(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C31H30O4/c1-32-26-13-5-22(6-14-26)30(23-7-15-27(33-2)16-8-23)21-31(30,24-9-17-28(34-3)18-10-24)25-11-19-29(35-4)20-12-25/h5-20H,21H2,1-4H3
InChIKeyUTKKDBSDNBFRMD-UHFFFAOYSA-N
MW466.58 g/mol
LogP6.40
Rot. Bonds8

About 1-methoxy-4-[1,2,2-tris(4-methoxyphenyl)cyclopropyl]benzene

1-methoxy-4-[1,2,2-tris(4-methoxyphenyl)cyclopropyl]benzene (PubChem CID 12846256) has the molecular formula C31H30O4 and a molecular weight of 466.58 g/mol. Its IUPAC name is 1-methoxy-4-[1,2,2-tris(4-methoxyphenyl)cyclopropyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[1,2,2-tris(4-methoxyphenyl)cyclopropyl]benzene
PubChem CID12846256
Molecular FormulaC31H30O4
Molecular Weight466.58 g/mol
Exact Mass466.21
IUPAC Name1-methoxy-4-[1,2,2-tris(4-methoxyphenyl)cyclopropyl]benzene
SMILESCOc1ccc(C2(c3ccc(OC)cc3)CC2(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C31H30O4/c1-32-26-13-5-22(6-14-26)30(23-7-15-27(33-2)16-8-23)21-31(30,24-9-17-28(34-3)18-10-24)25-11-19-29(35-4)20-12-25/h5-20H,21H2,1-4H3
InChIKeyUTKKDBSDNBFRMD-UHFFFAOYSA-N
XLogP6.40
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.58
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-4-(1,2,2-triphenylcyclopropyl)benzene
CID 12846254
1-methoxy-4-(1,3,4-trimethylcyclopent-3-en-1-yl)benzene
CID 10965945
1-methoxy-4-[1-(4-methoxyphenyl)-2-methylidenecyclopropyl]benzene
CID 13355231
trans-methyl (1R,2S)-2-(4-methoxyphenyl)-1,2-diphenylcyclopropane-1-carboxylate
CID 101031534
cis-methyl (1R,2R)-1,2-bis(4-methoxyphenyl)-2-phenylcyclopropane-1-carboxylate
CID 101031556
3-(4-methoxyphenyl)-5-methylpyrazolidine-3,5-diol
CID 86103756
3,3-diethyl-1-(4-methoxyphenyl)cyclobutan-1-amine
CID 65004013
1-(1,2-dimethyl-2-prop-1-en-2-ylcyclopropyl)-4-methoxybenzene
CID 11063852
1-(4-methoxyphenyl)-3,3-dimethylcyclobutane-1-carboxylic acid
CID 65000749
2-[3-(4-methoxyphenyl)-1-bicyclo[1.1.1]pentanyl]ethanol
CID 171758966
1-methoxy-4-(1,2,2-trimethylcyclopentyl)benzene
CID 11252954
2-ethyl-2-(4-methoxyphenyl)oxirane
CID 62772995

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[1,2,2-tris(4-methoxyphenyl)cyclopropyl]benzene?
The IUPAC name of 1-methoxy-4-[1,2,2-tris(4-methoxyphenyl)cyclopropyl]benzene (CID 12846256) is 1-methoxy-4-[1,2,2-tris(4-methoxyphenyl)cyclopropyl]benzene.
What is the SMILES notation for 1-methoxy-4-[1,2,2-tris(4-methoxyphenyl)cyclopropyl]benzene?
The canonical SMILES for 1-methoxy-4-[1,2,2-tris(4-methoxyphenyl)cyclopropyl]benzene is COc1ccc(C2(c3ccc(OC)cc3)CC2(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-methoxy-4-[1,2,2-tris(4-methoxyphenyl)cyclopropyl]benzene?
The InChIKey is UTKKDBSDNBFRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30O4/c1-32-26-13-5-22(6-14-26)30(23-7-15-27(33-2)16-8-23)21-31(30,24-9-17-28(34-3)18-10-24)25-11-19-29(35-4)20-12-25/h5-20H,21H2,1-4H3.
What are the key properties of 1-methoxy-4-[1,2,2-tris(4-methoxyphenyl)cyclopropyl]benzene?
1-methoxy-4-[1,2,2-tris(4-methoxyphenyl)cyclopropyl]benzene has a molecular weight of 466.58 g/mol, XLogP of 6.40, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[1,2,2-tris(4-methoxyphenyl)cyclopropyl]benzene is sourced from PubChem (CID 12846256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).