1,3,5-trimethyl-2-phenoxybenzene

C15H16O — CID 11506741

IUPAC1,3,5-trimethyl-2-phenoxybenzene
SMILESCc1cc(C)c(Oc2ccccc2)c(C)c1
InChIInChI=1S/C15H16O/c1-11-9-12(2)15(13(3)10-11)16-14-7-5-4-6-8-14/h4-10H,1-3H3
InChIKeyGGEGJDHYFUQUBW-UHFFFAOYSA-N
MW212.29 g/mol
LogP4.40
Rot. Bonds2

About 1,3,5-trimethyl-2-phenoxybenzene

1,3,5-trimethyl-2-phenoxybenzene (PubChem CID 11506741) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is 1,3,5-trimethyl-2-phenoxybenzene.

Molecular Properties

Compound Name1,3,5-trimethyl-2-phenoxybenzene
PubChem CID11506741
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name1,3,5-trimethyl-2-phenoxybenzene
SMILESCc1cc(C)c(Oc2ccccc2)c(C)c1
InChIInChI=1S/C15H16O/c1-11-9-12(2)15(13(3)10-11)16-14-7-5-4-6-8-14/h4-10H,1-3H3
InChIKeyGGEGJDHYFUQUBW-UHFFFAOYSA-N
XLogP4.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-2-phenoxybenzene?
The IUPAC name of 1,3,5-trimethyl-2-phenoxybenzene (CID 11506741) is 1,3,5-trimethyl-2-phenoxybenzene.
What is the SMILES notation for 1,3,5-trimethyl-2-phenoxybenzene?
The canonical SMILES for 1,3,5-trimethyl-2-phenoxybenzene is Cc1cc(C)c(Oc2ccccc2)c(C)c1.
What is the InChIKey of 1,3,5-trimethyl-2-phenoxybenzene?
The InChIKey is GGEGJDHYFUQUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O/c1-11-9-12(2)15(13(3)10-11)16-14-7-5-4-6-8-14/h4-10H,1-3H3.
What are the key properties of 1,3,5-trimethyl-2-phenoxybenzene?
1,3,5-trimethyl-2-phenoxybenzene has a molecular weight of 212.29 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-2-phenoxybenzene is sourced from PubChem (CID 11506741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).