1,3-dimethyl-2-phenoxybenzene

C14H14O — CID 12943318

IUPAC1,3-dimethyl-2-phenoxybenzene
SMILESCc1cccc(C)c1Oc1ccccc1
InChIInChI=1S/C14H14O/c1-11-7-6-8-12(2)14(11)15-13-9-4-3-5-10-13/h3-10H,1-2H3
InChIKeyLUBUOSHGCFAFRO-UHFFFAOYSA-N
MW198.26 g/mol
LogP4.10
Rot. Bonds2

About 1,3-dimethyl-2-phenoxybenzene

1,3-dimethyl-2-phenoxybenzene (PubChem CID 12943318) has the molecular formula C14H14O and a molecular weight of 198.26 g/mol. Its IUPAC name is 1,3-dimethyl-2-phenoxybenzene.

Molecular Properties

Compound Name1,3-dimethyl-2-phenoxybenzene
PubChem CID12943318
Molecular FormulaC14H14O
Molecular Weight198.26 g/mol
Exact Mass198.10
IUPAC Name1,3-dimethyl-2-phenoxybenzene
SMILESCc1cccc(C)c1Oc1ccccc1
InChIInChI=1S/C14H14O/c1-11-7-6-8-12(2)14(11)15-13-9-4-3-5-10-13/h3-10H,1-2H3
InChIKeyLUBUOSHGCFAFRO-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 1,3-dimethyl-2-phenoxybenzene?
The IUPAC name of 1,3-dimethyl-2-phenoxybenzene (CID 12943318) is 1,3-dimethyl-2-phenoxybenzene.
What is the SMILES notation for 1,3-dimethyl-2-phenoxybenzene?
The canonical SMILES for 1,3-dimethyl-2-phenoxybenzene is Cc1cccc(C)c1Oc1ccccc1.
What is the InChIKey of 1,3-dimethyl-2-phenoxybenzene?
The InChIKey is LUBUOSHGCFAFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O/c1-11-7-6-8-12(2)14(11)15-13-9-4-3-5-10-13/h3-10H,1-2H3.
What are the key properties of 1,3-dimethyl-2-phenoxybenzene?
1,3-dimethyl-2-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 1,3-dimethyl-2-phenoxybenzene is sourced from PubChem (CID 12943318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).