1,2,3-tris(3-methylphenoxy)benzene

C27H24O3 — CID 139940681

IUPAC1,2,3-tris(3-methylphenoxy)benzene
SMILESCc1cccc(Oc2cccc(Oc3cccc(C)c3)c2Oc2cccc(C)c2)c1
InChIInChI=1S/C27H24O3/c1-19-8-4-11-22(16-19)28-25-14-7-15-26(29-23-12-5-9-20(2)17-23)27(25)30-24-13-6-10-21(3)18-24/h4-18H,1-3H3
InChIKeyYFOBNSIWPYQJMM-UHFFFAOYSA-N
MW396.49 g/mol
LogP7.99
Rot. Bonds6

About 1,2,3-tris(3-methylphenoxy)benzene

1,2,3-tris(3-methylphenoxy)benzene (PubChem CID 139940681) has the molecular formula C27H24O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 1,2,3-tris(3-methylphenoxy)benzene.

Molecular Properties

Compound Name1,2,3-tris(3-methylphenoxy)benzene
PubChem CID139940681
Molecular FormulaC27H24O3
Molecular Weight396.49 g/mol
Exact Mass396.17
IUPAC Name1,2,3-tris(3-methylphenoxy)benzene
SMILESCc1cccc(Oc2cccc(Oc3cccc(C)c3)c2Oc2cccc(C)c2)c1
InChIInChI=1S/C27H24O3/c1-19-8-4-11-22(16-19)28-25-14-7-15-26(29-23-12-5-9-20(2)17-23)27(25)30-24-13-6-10-21(3)18-24/h4-18H,1-3H3
InChIKeyYFOBNSIWPYQJMM-UHFFFAOYSA-N
XLogP7.99
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-bis(3-methylphenoxy)phenol
CID 139940679
2-(3-methylphenoxy)phenol
CID 22051950
1,2,4-trimethyl-3-(3-methylphenoxy)benzene
CID 19792389
4-methyl-2-(3-methylphenoxy)aniline
CID 26189584
1-chloro-4-methyl-2-(3-methylphenoxy)benzene
CID 54166558
4-(3-methylphenoxy)quinoline
CID 12798303
2,3,6-trimethyl-4-(3-methylphenoxy)phenol
CID 18994518
1-methyl-3-phenoxybenzene;hydrochloride
CID 175116002
4-fluoro-2-(3-methylphenoxy)aniline
CID 62377841
2,4-bis(3-methylphenoxy)phenol
CID 139941781
2,4-bis(3-methylphenoxy)aniline
CID 34173748
1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]phenoxy]benzene
CID 22967305

Frequently Asked Questions

What is the IUPAC name of 1,2,3-tris(3-methylphenoxy)benzene?
The IUPAC name of 1,2,3-tris(3-methylphenoxy)benzene (CID 139940681) is 1,2,3-tris(3-methylphenoxy)benzene.
What is the SMILES notation for 1,2,3-tris(3-methylphenoxy)benzene?
The canonical SMILES for 1,2,3-tris(3-methylphenoxy)benzene is Cc1cccc(Oc2cccc(Oc3cccc(C)c3)c2Oc2cccc(C)c2)c1.
What is the InChIKey of 1,2,3-tris(3-methylphenoxy)benzene?
The InChIKey is YFOBNSIWPYQJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24O3/c1-19-8-4-11-22(16-19)28-25-14-7-15-26(29-23-12-5-9-20(2)17-23)27(25)30-24-13-6-10-21(3)18-24/h4-18H,1-3H3.
What are the key properties of 1,2,3-tris(3-methylphenoxy)benzene?
1,2,3-tris(3-methylphenoxy)benzene has a molecular weight of 396.49 g/mol, XLogP of 7.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-tris(3-methylphenoxy)benzene is sourced from PubChem (CID 139940681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).