1-methyl-2-[4-[4-(3-methylphenyl)phenoxy]phenyl]benzene

C26H22O — CID 70651586

IUPAC1-methyl-2-[4-[4-(3-methylphenyl)phenoxy]phenyl]benzene
SMILESCc1cccc(-c2ccc(Oc3ccc(-c4ccccc4C)cc3)cc2)c1
InChIInChI=1S/C26H22O/c1-19-6-5-8-23(18-19)21-10-14-24(15-11-21)27-25-16-12-22(13-17-25)26-9-4-3-7-20(26)2/h3-18H,1-2H3
InChIKeyLDFIOUWZUXVORC-UHFFFAOYSA-N
MW350.46 g/mol
LogP7.43
Rot. Bonds4

About 1-methyl-2-[4-[4-(3-methylphenyl)phenoxy]phenyl]benzene

1-methyl-2-[4-[4-(3-methylphenyl)phenoxy]phenyl]benzene (PubChem CID 70651586) has the molecular formula C26H22O and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-methyl-2-[4-[4-(3-methylphenyl)phenoxy]phenyl]benzene.

Molecular Properties

Compound Name1-methyl-2-[4-[4-(3-methylphenyl)phenoxy]phenyl]benzene
PubChem CID70651586
Molecular FormulaC26H22O
Molecular Weight350.46 g/mol
Exact Mass350.17
IUPAC Name1-methyl-2-[4-[4-(3-methylphenyl)phenoxy]phenyl]benzene
SMILESCc1cccc(-c2ccc(Oc3ccc(-c4ccccc4C)cc3)cc2)c1
InChIInChI=1S/C26H22O/c1-19-6-5-8-23(18-19)21-10-14-24(15-11-21)27-25-16-12-22(13-17-25)26-9-4-3-7-20(26)2/h3-18H,1-2H3
InChIKeyLDFIOUWZUXVORC-UHFFFAOYSA-N
XLogP7.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.46
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[4-[4-(3-methylphenyl)phenoxy]phenyl]benzene?
The IUPAC name of 1-methyl-2-[4-[4-(3-methylphenyl)phenoxy]phenyl]benzene (CID 70651586) is 1-methyl-2-[4-[4-(3-methylphenyl)phenoxy]phenyl]benzene.
What is the SMILES notation for 1-methyl-2-[4-[4-(3-methylphenyl)phenoxy]phenyl]benzene?
The canonical SMILES for 1-methyl-2-[4-[4-(3-methylphenyl)phenoxy]phenyl]benzene is Cc1cccc(-c2ccc(Oc3ccc(-c4ccccc4C)cc3)cc2)c1.
What is the InChIKey of 1-methyl-2-[4-[4-(3-methylphenyl)phenoxy]phenyl]benzene?
The InChIKey is LDFIOUWZUXVORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O/c1-19-6-5-8-23(18-19)21-10-14-24(15-11-21)27-25-16-12-22(13-17-25)26-9-4-3-7-20(26)2/h3-18H,1-2H3.
What are the key properties of 1-methyl-2-[4-[4-(3-methylphenyl)phenoxy]phenyl]benzene?
1-methyl-2-[4-[4-(3-methylphenyl)phenoxy]phenyl]benzene has a molecular weight of 350.46 g/mol, XLogP of 7.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[4-[4-(3-methylphenyl)phenoxy]phenyl]benzene is sourced from PubChem (CID 70651586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).