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

C27H24O3 — CID 139940567

IUPAC1,2,3-tris(2-methylphenoxy)benzene
SMILESCc1ccccc1Oc1cccc(Oc2ccccc2C)c1Oc1ccccc1C
InChIInChI=1S/C27H24O3/c1-19-11-4-7-14-22(19)28-25-17-10-18-26(29-23-15-8-5-12-20(23)2)27(25)30-24-16-9-6-13-21(24)3/h4-18H,1-3H3
InChIKeyXAVOATIOWWDQJC-UHFFFAOYSA-N
MW396.49 g/mol
LogP7.99
Rot. Bonds6

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

1,2,3-tris(2-methylphenoxy)benzene (PubChem CID 139940567) has the molecular formula C27H24O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 1,2,3-tris(2-methylphenoxy)benzene.

Molecular Properties

Compound Name1,2,3-tris(2-methylphenoxy)benzene
PubChem CID139940567
Molecular FormulaC27H24O3
Molecular Weight396.49 g/mol
Exact Mass396.17
IUPAC Name1,2,3-tris(2-methylphenoxy)benzene
SMILESCc1ccccc1Oc1cccc(Oc2ccccc2C)c1Oc1ccccc1C
InChIInChI=1S/C27H24O3/c1-19-11-4-7-14-22(19)28-25-17-10-18-26(29-23-15-8-5-12-20(23)2)27(25)30-24-16-9-6-13-21(24)3/h4-18H,1-3H3
InChIKeyXAVOATIOWWDQJC-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

ethane;1-methyl-2-(2-methylphenoxy)benzene
CID 90755051
2-methoxy-3-(2-methylphenoxy)benzaldehyde
CID 13066662
3,5-dimethyl-4-(2-methylphenoxy)phenol
CID 18994525
2-[2,3-bis(2-hydroxyphenoxy)phenoxy]phenol
CID 139940614
9,10-bis(2-methylphenoxy)-1,2,3,4-tetrahydroanthracene
CID 153323288
ethane;1-methyl-2-phenoxybenzene
CID 90950955
4-fluoro-2-methyl-1-(2-methylphenoxy)benzene
CID 69045546
2-[2-methoxy-3-(2-methylphenoxy)phenyl]acetonitrile
CID 20513415
4-chloro-2-methyl-1-(2-methylphenoxy)benzene
CID 62706685
1-methyl-2-(3-phenoxyphenoxy)benzene
CID 91183986
(1S)-1-[3-fluoro-2-(2-methylphenoxy)phenyl]ethanol
CID 114059293
2-hydroxy-3-(2-methylphenoxy)benzaldehyde
CID 13066661

Frequently Asked Questions

What is the IUPAC name of 1,2,3-tris(2-methylphenoxy)benzene?
The IUPAC name of 1,2,3-tris(2-methylphenoxy)benzene (CID 139940567) is 1,2,3-tris(2-methylphenoxy)benzene.
What is the SMILES notation for 1,2,3-tris(2-methylphenoxy)benzene?
The canonical SMILES for 1,2,3-tris(2-methylphenoxy)benzene is Cc1ccccc1Oc1cccc(Oc2ccccc2C)c1Oc1ccccc1C.
What is the InChIKey of 1,2,3-tris(2-methylphenoxy)benzene?
The InChIKey is XAVOATIOWWDQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24O3/c1-19-11-4-7-14-22(19)28-25-17-10-18-26(29-23-15-8-5-12-20(23)2)27(25)30-24-16-9-6-13-21(24)3/h4-18H,1-3H3.
What are the key properties of 1,2,3-tris(2-methylphenoxy)benzene?
1,2,3-tris(2-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(2-methylphenoxy)benzene is sourced from PubChem (CID 139940567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).