1,2,4-tris[(3-methylphenyl)methoxy]benzene

C30H30O3 — CID 139941740

IUPAC1,2,4-tris[(3-methylphenyl)methoxy]benzene
SMILESCc1cccc(COc2ccc(OCc3cccc(C)c3)c(OCc3cccc(C)c3)c2)c1
InChIInChI=1S/C30H30O3/c1-22-7-4-10-25(15-22)19-31-28-13-14-29(32-20-26-11-5-8-23(2)16-26)30(18-28)33-21-27-12-6-9-24(3)17-27/h4-18H,19-21H2,1-3H3
InChIKeyFECHXKCWGSKUES-UHFFFAOYSA-N
MW438.57 g/mol
LogP7.35
Rot. Bonds9

About 1,2,4-tris[(3-methylphenyl)methoxy]benzene

1,2,4-tris[(3-methylphenyl)methoxy]benzene (PubChem CID 139941740) has the molecular formula C30H30O3 and a molecular weight of 438.57 g/mol. Its IUPAC name is 1,2,4-tris[(3-methylphenyl)methoxy]benzene.

Molecular Properties

Compound Name1,2,4-tris[(3-methylphenyl)methoxy]benzene
PubChem CID139941740
Molecular FormulaC30H30O3
Molecular Weight438.57 g/mol
Exact Mass438.22
IUPAC Name1,2,4-tris[(3-methylphenyl)methoxy]benzene
SMILESCc1cccc(COc2ccc(OCc3cccc(C)c3)c(OCc3cccc(C)c3)c2)c1
InChIInChI=1S/C30H30O3/c1-22-7-4-10-25(15-22)19-31-28-13-14-29(32-20-26-11-5-8-23(2)16-26)30(18-28)33-21-27-12-6-9-24(3)17-27/h4-18H,19-21H2,1-3H3
InChIKeyFECHXKCWGSKUES-UHFFFAOYSA-N
XLogP7.35
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.57
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-methylphenyl)methoxy]phenol
CID 39243397
1-methyl-3-[[4-[[4-[(3-methylphenyl)methoxy]phenyl]disulfanyl]phenoxy]methyl]benzene
CID 146262404
5-methyl-2-[(3-methylphenyl)methoxy]phenol
CID 82051938
(1R)-1-[4-methoxy-2-[(3-methylphenyl)methoxy]phenyl]ethanol
CID 82001197
4-[(3-methylphenyl)methoxy]benzonitrile
CID 2226315
1,3-dimethyl-5-[(3-methylphenoxy)methyl]benzene
CID 60644540
4-methoxy-3-[(3-methylphenyl)methoxy]aniline
CID 16792794
[3-[(3-methylphenyl)methoxy]phenyl]hydrazine
CID 82081355
5-[(3-methylphenyl)methoxy]pyridine-2-carbaldehyde
CID 79794315
1-bromo-3-methyl-5-[(3-methylphenyl)methoxy]benzene
CID 164573942
2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 20987766
2-fluoro-4-[(3-methylphenyl)methoxy]-1-phenylbenzene
CID 3743776

Frequently Asked Questions

What is the IUPAC name of 1,2,4-tris[(3-methylphenyl)methoxy]benzene?
The IUPAC name of 1,2,4-tris[(3-methylphenyl)methoxy]benzene (CID 139941740) is 1,2,4-tris[(3-methylphenyl)methoxy]benzene.
What is the SMILES notation for 1,2,4-tris[(3-methylphenyl)methoxy]benzene?
The canonical SMILES for 1,2,4-tris[(3-methylphenyl)methoxy]benzene is Cc1cccc(COc2ccc(OCc3cccc(C)c3)c(OCc3cccc(C)c3)c2)c1.
What is the InChIKey of 1,2,4-tris[(3-methylphenyl)methoxy]benzene?
The InChIKey is FECHXKCWGSKUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30O3/c1-22-7-4-10-25(15-22)19-31-28-13-14-29(32-20-26-11-5-8-23(2)16-26)30(18-28)33-21-27-12-6-9-24(3)17-27/h4-18H,19-21H2,1-3H3.
What are the key properties of 1,2,4-tris[(3-methylphenyl)methoxy]benzene?
1,2,4-tris[(3-methylphenyl)methoxy]benzene has a molecular weight of 438.57 g/mol, XLogP of 7.35, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-tris[(3-methylphenyl)methoxy]benzene is sourced from PubChem (CID 139941740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).