2,4-dimethyl-1-phenoxybenzene

C14H14O — CID 12557196

IUPAC2,4-dimethyl-1-phenoxybenzene
SMILESCc1ccc(Oc2ccccc2)c(C)c1
InChIInChI=1S/C14H14O/c1-11-8-9-14(12(2)10-11)15-13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKeyFTWCMOZNJHKEBK-UHFFFAOYSA-N
MW198.26 g/mol
LogP4.10
Rot. Bonds2

About 2,4-dimethyl-1-phenoxybenzene

2,4-dimethyl-1-phenoxybenzene (PubChem CID 12557196) has the molecular formula C14H14O and a molecular weight of 198.26 g/mol. Its IUPAC name is 2,4-dimethyl-1-phenoxybenzene.

Molecular Properties

Compound Name2,4-dimethyl-1-phenoxybenzene
PubChem CID12557196
Molecular FormulaC14H14O
Molecular Weight198.26 g/mol
Exact Mass198.10
IUPAC Name2,4-dimethyl-1-phenoxybenzene
SMILESCc1ccc(Oc2ccccc2)c(C)c1
InChIInChI=1S/C14H14O/c1-11-8-9-14(12(2)10-11)15-13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKeyFTWCMOZNJHKEBK-UHFFFAOYSA-N
XLogP4.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-phenoxybenzene?
The IUPAC name of 2,4-dimethyl-1-phenoxybenzene (CID 12557196) is 2,4-dimethyl-1-phenoxybenzene.
What is the SMILES notation for 2,4-dimethyl-1-phenoxybenzene?
The canonical SMILES for 2,4-dimethyl-1-phenoxybenzene is Cc1ccc(Oc2ccccc2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-1-phenoxybenzene?
The InChIKey is FTWCMOZNJHKEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O/c1-11-8-9-14(12(2)10-11)15-13-6-4-3-5-7-13/h3-10H,1-2H3.
What are the key properties of 2,4-dimethyl-1-phenoxybenzene?
2,4-dimethyl-1-phenoxybenzene has a molecular weight of 198.26 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-phenoxybenzene is sourced from PubChem (CID 12557196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).