4-methoxy-1-[4-(4-methylphenyl)phenoxy]-2-phenylbenzene

C26H22O2 — CID 23542258

IUPAC4-methoxy-1-[4-(4-methylphenyl)phenoxy]-2-phenylbenzene
SMILESCOc1ccc(Oc2ccc(-c3ccc(C)cc3)cc2)c(-c2ccccc2)c1
InChIInChI=1S/C26H22O2/c1-19-8-10-20(11-9-19)21-12-14-23(15-13-21)28-26-17-16-24(27-2)18-25(26)22-6-4-3-5-7-22/h3-18H,1-2H3
InChIKeySDVWQPRJFZGQRD-UHFFFAOYSA-N
MW366.46 g/mol
LogP7.13
Rot. Bonds5

About 4-methoxy-1-[4-(4-methylphenyl)phenoxy]-2-phenylbenzene

4-methoxy-1-[4-(4-methylphenyl)phenoxy]-2-phenylbenzene (PubChem CID 23542258) has the molecular formula C26H22O2 and a molecular weight of 366.46 g/mol. Its IUPAC name is 4-methoxy-1-[4-(4-methylphenyl)phenoxy]-2-phenylbenzene.

Molecular Properties

Compound Name4-methoxy-1-[4-(4-methylphenyl)phenoxy]-2-phenylbenzene
PubChem CID23542258
Molecular FormulaC26H22O2
Molecular Weight366.46 g/mol
Exact Mass366.16
IUPAC Name4-methoxy-1-[4-(4-methylphenyl)phenoxy]-2-phenylbenzene
SMILESCOc1ccc(Oc2ccc(-c3ccc(C)cc3)cc2)c(-c2ccccc2)c1
InChIInChI=1S/C26H22O2/c1-19-8-10-20(11-9-19)21-12-14-23(15-13-21)28-26-17-16-24(27-2)18-25(26)22-6-4-3-5-7-22/h3-18H,1-2H3
InChIKeySDVWQPRJFZGQRD-UHFFFAOYSA-N
XLogP7.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[4-(4-methylphenyl)phenoxy]-2-phenylbenzene?
The IUPAC name of 4-methoxy-1-[4-(4-methylphenyl)phenoxy]-2-phenylbenzene (CID 23542258) is 4-methoxy-1-[4-(4-methylphenyl)phenoxy]-2-phenylbenzene.
What is the SMILES notation for 4-methoxy-1-[4-(4-methylphenyl)phenoxy]-2-phenylbenzene?
The canonical SMILES for 4-methoxy-1-[4-(4-methylphenyl)phenoxy]-2-phenylbenzene is COc1ccc(Oc2ccc(-c3ccc(C)cc3)cc2)c(-c2ccccc2)c1.
What is the InChIKey of 4-methoxy-1-[4-(4-methylphenyl)phenoxy]-2-phenylbenzene?
The InChIKey is SDVWQPRJFZGQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O2/c1-19-8-10-20(11-9-19)21-12-14-23(15-13-21)28-26-17-16-24(27-2)18-25(26)22-6-4-3-5-7-22/h3-18H,1-2H3.
What are the key properties of 4-methoxy-1-[4-(4-methylphenyl)phenoxy]-2-phenylbenzene?
4-methoxy-1-[4-(4-methylphenyl)phenoxy]-2-phenylbenzene has a molecular weight of 366.46 g/mol, XLogP of 7.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-[4-(4-methylphenyl)phenoxy]-2-phenylbenzene is sourced from PubChem (CID 23542258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).