1-[1,1-bis(4-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)propan-2-yl]benzene

C32H34O3 — CID 23379898

IUPAC1-[1,1-bis(4-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)propan-2-yl]benzene
SMILESCOc1ccc(C(C)(C)c2ccc(C(C)(c3ccc(OC)cc3)c3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C32H34O3/c1-31(2,24-11-17-28(33-4)18-12-24)23-7-9-25(10-8-23)32(3,26-13-19-29(34-5)20-14-26)27-15-21-30(35-6)22-16-27/h7-22H,1-6H3
InChIKeyLXOJOGJEPJOCNS-UHFFFAOYSA-N
MW466.62 g/mol
LogP7.39
Rot. Bonds8

About 1-[1,1-bis(4-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)propan-2-yl]benzene

1-[1,1-bis(4-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)propan-2-yl]benzene (PubChem CID 23379898) has the molecular formula C32H34O3 and a molecular weight of 466.62 g/mol. Its IUPAC name is 1-[1,1-bis(4-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)propan-2-yl]benzene.

Molecular Properties

Compound Name1-[1,1-bis(4-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)propan-2-yl]benzene
PubChem CID23379898
Molecular FormulaC32H34O3
Molecular Weight466.62 g/mol
Exact Mass466.25
IUPAC Name1-[1,1-bis(4-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)propan-2-yl]benzene
SMILESCOc1ccc(C(C)(C)c2ccc(C(C)(c3ccc(OC)cc3)c3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C32H34O3/c1-31(2,24-11-17-28(33-4)18-12-24)23-7-9-25(10-8-23)32(3,26-13-19-29(34-5)20-14-26)27-15-21-30(35-6)22-16-27/h7-22H,1-6H3
InChIKeyLXOJOGJEPJOCNS-UHFFFAOYSA-N
XLogP7.39
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.62
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1,1-bis(4-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)propan-2-yl]benzene?
The IUPAC name of 1-[1,1-bis(4-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)propan-2-yl]benzene (CID 23379898) is 1-[1,1-bis(4-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)propan-2-yl]benzene.
What is the SMILES notation for 1-[1,1-bis(4-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)propan-2-yl]benzene?
The canonical SMILES for 1-[1,1-bis(4-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)propan-2-yl]benzene is COc1ccc(C(C)(C)c2ccc(C(C)(c3ccc(OC)cc3)c3ccc(OC)cc3)cc2)cc1.
What is the InChIKey of 1-[1,1-bis(4-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)propan-2-yl]benzene?
The InChIKey is LXOJOGJEPJOCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34O3/c1-31(2,24-11-17-28(33-4)18-12-24)23-7-9-25(10-8-23)32(3,26-13-19-29(34-5)20-14-26)27-15-21-30(35-6)22-16-27/h7-22H,1-6H3.
What are the key properties of 1-[1,1-bis(4-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)propan-2-yl]benzene?
1-[1,1-bis(4-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)propan-2-yl]benzene has a molecular weight of 466.62 g/mol, XLogP of 7.39, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1-bis(4-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)propan-2-yl]benzene is sourced from PubChem (CID 23379898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).