1-[4-(methoxymethoxy)phenyl]-4-(4-methylphenyl)-2-phenylmethoxybenzene

C28H26O3 — CID 118944139

IUPAC1-[4-(methoxymethoxy)phenyl]-4-(4-methylphenyl)-2-phenylmethoxybenzene
SMILESCOCOc1ccc(-c2ccc(-c3ccc(C)cc3)cc2OCc2ccccc2)cc1
InChIInChI=1S/C28H26O3/c1-21-8-10-23(11-9-21)25-14-17-27(24-12-15-26(16-13-24)31-20-29-2)28(18-25)30-19-22-6-4-3-5-7-22/h3-18H,19-20H2,1-2H3
InChIKeyVKVNZQXQSYRJEW-UHFFFAOYSA-N
MW410.51 g/mol
LogP6.89
Rot. Bonds8

About 1-[4-(methoxymethoxy)phenyl]-4-(4-methylphenyl)-2-phenylmethoxybenzene

1-[4-(methoxymethoxy)phenyl]-4-(4-methylphenyl)-2-phenylmethoxybenzene (PubChem CID 118944139) has the molecular formula C28H26O3 and a molecular weight of 410.51 g/mol. Its IUPAC name is 1-[4-(methoxymethoxy)phenyl]-4-(4-methylphenyl)-2-phenylmethoxybenzene.

Molecular Properties

Compound Name1-[4-(methoxymethoxy)phenyl]-4-(4-methylphenyl)-2-phenylmethoxybenzene
PubChem CID118944139
Molecular FormulaC28H26O3
Molecular Weight410.51 g/mol
Exact Mass410.19
IUPAC Name1-[4-(methoxymethoxy)phenyl]-4-(4-methylphenyl)-2-phenylmethoxybenzene
SMILESCOCOc1ccc(-c2ccc(-c3ccc(C)cc3)cc2OCc2ccccc2)cc1
InChIInChI=1S/C28H26O3/c1-21-8-10-23(11-9-21)25-14-17-27(24-12-15-26(16-13-24)31-20-29-2)28(18-25)30-19-22-6-4-3-5-7-22/h3-18H,19-20H2,1-2H3
InChIKeyVKVNZQXQSYRJEW-UHFFFAOYSA-N
XLogP6.89
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.51
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethoxy)phenyl]-4-(4-methylphenyl)-2-phenylmethoxybenzene?
The IUPAC name of 1-[4-(methoxymethoxy)phenyl]-4-(4-methylphenyl)-2-phenylmethoxybenzene (CID 118944139) is 1-[4-(methoxymethoxy)phenyl]-4-(4-methylphenyl)-2-phenylmethoxybenzene.
What is the SMILES notation for 1-[4-(methoxymethoxy)phenyl]-4-(4-methylphenyl)-2-phenylmethoxybenzene?
The canonical SMILES for 1-[4-(methoxymethoxy)phenyl]-4-(4-methylphenyl)-2-phenylmethoxybenzene is COCOc1ccc(-c2ccc(-c3ccc(C)cc3)cc2OCc2ccccc2)cc1.
What is the InChIKey of 1-[4-(methoxymethoxy)phenyl]-4-(4-methylphenyl)-2-phenylmethoxybenzene?
The InChIKey is VKVNZQXQSYRJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26O3/c1-21-8-10-23(11-9-21)25-14-17-27(24-12-15-26(16-13-24)31-20-29-2)28(18-25)30-19-22-6-4-3-5-7-22/h3-18H,19-20H2,1-2H3.
What are the key properties of 1-[4-(methoxymethoxy)phenyl]-4-(4-methylphenyl)-2-phenylmethoxybenzene?
1-[4-(methoxymethoxy)phenyl]-4-(4-methylphenyl)-2-phenylmethoxybenzene has a molecular weight of 410.51 g/mol, XLogP of 6.89, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethoxy)phenyl]-4-(4-methylphenyl)-2-phenylmethoxybenzene is sourced from PubChem (CID 118944139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).