1,2,4-trimethyl-3,5-diphenoxybenzene

C21H20O2 — CID 141017491

IUPAC1,2,4-trimethyl-3,5-diphenoxybenzene
SMILESCc1cc(Oc2ccccc2)c(C)c(Oc2ccccc2)c1C
InChIInChI=1S/C21H20O2/c1-15-14-20(22-18-10-6-4-7-11-18)17(3)21(16(15)2)23-19-12-8-5-9-13-19/h4-14H,1-3H3
InChIKeyQAFUQORTHKNPQD-UHFFFAOYSA-N
MW304.39 g/mol
LogP6.20
Rot. Bonds4

About 1,2,4-trimethyl-3,5-diphenoxybenzene

1,2,4-trimethyl-3,5-diphenoxybenzene (PubChem CID 141017491) has the molecular formula C21H20O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1,2,4-trimethyl-3,5-diphenoxybenzene.

Molecular Properties

Compound Name1,2,4-trimethyl-3,5-diphenoxybenzene
PubChem CID141017491
Molecular FormulaC21H20O2
Molecular Weight304.39 g/mol
Exact Mass304.15
IUPAC Name1,2,4-trimethyl-3,5-diphenoxybenzene
SMILESCc1cc(Oc2ccccc2)c(C)c(Oc2ccccc2)c1C
InChIInChI=1S/C21H20O2/c1-15-14-20(22-18-10-6-4-7-11-18)17(3)21(16(15)2)23-19-12-8-5-9-13-19/h4-14H,1-3H3
InChIKeyQAFUQORTHKNPQD-UHFFFAOYSA-N
XLogP6.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.39
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,4-trimethyl-3,5-diphenoxybenzene?
The IUPAC name of 1,2,4-trimethyl-3,5-diphenoxybenzene (CID 141017491) is 1,2,4-trimethyl-3,5-diphenoxybenzene.
What is the SMILES notation for 1,2,4-trimethyl-3,5-diphenoxybenzene?
The canonical SMILES for 1,2,4-trimethyl-3,5-diphenoxybenzene is Cc1cc(Oc2ccccc2)c(C)c(Oc2ccccc2)c1C.
What is the InChIKey of 1,2,4-trimethyl-3,5-diphenoxybenzene?
The InChIKey is QAFUQORTHKNPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O2/c1-15-14-20(22-18-10-6-4-7-11-18)17(3)21(16(15)2)23-19-12-8-5-9-13-19/h4-14H,1-3H3.
What are the key properties of 1,2,4-trimethyl-3,5-diphenoxybenzene?
1,2,4-trimethyl-3,5-diphenoxybenzene has a molecular weight of 304.39 g/mol, XLogP of 6.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trimethyl-3,5-diphenoxybenzene is sourced from PubChem (CID 141017491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).