1-methyl-3-[3-(3-phenoxyphenyl)phenyl]benzene

C25H20O — CID 134391841

IUPAC1-methyl-3-[3-(3-phenoxyphenyl)phenyl]benzene
SMILESCc1cccc(-c2cccc(-c3cccc(Oc4ccccc4)c3)c2)c1
InChIInChI=1S/C25H20O/c1-19-8-5-9-20(16-19)21-10-6-11-22(17-21)23-12-7-15-25(18-23)26-24-13-3-2-4-14-24/h2-18H,1H3
InChIKeyVMHQQMQLUVULRC-UHFFFAOYSA-N
MW336.43 g/mol
LogP7.12
Rot. Bonds4

About 1-methyl-3-[3-(3-phenoxyphenyl)phenyl]benzene

1-methyl-3-[3-(3-phenoxyphenyl)phenyl]benzene (PubChem CID 134391841) has the molecular formula C25H20O and a molecular weight of 336.43 g/mol. Its IUPAC name is 1-methyl-3-[3-(3-phenoxyphenyl)phenyl]benzene.

Molecular Properties

Compound Name1-methyl-3-[3-(3-phenoxyphenyl)phenyl]benzene
PubChem CID134391841
Molecular FormulaC25H20O
Molecular Weight336.43 g/mol
Exact Mass336.15
IUPAC Name1-methyl-3-[3-(3-phenoxyphenyl)phenyl]benzene
SMILESCc1cccc(-c2cccc(-c3cccc(Oc4ccccc4)c3)c2)c1
InChIInChI=1S/C25H20O/c1-19-8-5-9-20(16-19)21-10-6-11-22(17-21)23-12-7-15-25(18-23)26-24-13-3-2-4-14-24/h2-18H,1H3
InChIKeyVMHQQMQLUVULRC-UHFFFAOYSA-N
XLogP7.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.43
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-3-phenoxybenzene;hydrochloride
CID 175116002
1-phenoxy-4-(3-phenylphenoxy)benzene
CID 14832823
ethane;1-methyl-3-(3-phenylphenyl)benzene
CID 163289488
1-(3,5-diphenylphenyl)-3-(3-methylphenyl)-5-phenylbenzene
CID 123283333
1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene
CID 153438411
1-(3-methylphenyl)-3-phenyl-5-(3-phenylphenyl)benzene
CID 123280286
1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]phenoxy]benzene
CID 22967305
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
ethane;1-methyl-3-phenylbenzene
CID 142040878
ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848
ethane;1-methoxy-3-(3-methylphenyl)benzene
CID 142945497
3-methylaniline;1-methyl-3-phenoxybenzene
CID 144834027

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-(3-phenoxyphenyl)phenyl]benzene?
The IUPAC name of 1-methyl-3-[3-(3-phenoxyphenyl)phenyl]benzene (CID 134391841) is 1-methyl-3-[3-(3-phenoxyphenyl)phenyl]benzene.
What is the SMILES notation for 1-methyl-3-[3-(3-phenoxyphenyl)phenyl]benzene?
The canonical SMILES for 1-methyl-3-[3-(3-phenoxyphenyl)phenyl]benzene is Cc1cccc(-c2cccc(-c3cccc(Oc4ccccc4)c3)c2)c1.
What is the InChIKey of 1-methyl-3-[3-(3-phenoxyphenyl)phenyl]benzene?
The InChIKey is VMHQQMQLUVULRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20O/c1-19-8-5-9-20(16-19)21-10-6-11-22(17-21)23-12-7-15-25(18-23)26-24-13-3-2-4-14-24/h2-18H,1H3.
What are the key properties of 1-methyl-3-[3-(3-phenoxyphenyl)phenyl]benzene?
1-methyl-3-[3-(3-phenoxyphenyl)phenyl]benzene has a molecular weight of 336.43 g/mol, XLogP of 7.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-(3-phenoxyphenyl)phenyl]benzene is sourced from PubChem (CID 134391841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).