1-methyl-3-phenoxybenzene

C13H12O — CID 19165

IUPAC1-methyl-3-phenoxybenzene
SMILESCc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C13H12O/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12/h2-10H,1H3
InChIKeyUDONPJKEOAWFGI-UHFFFAOYSA-N
MW184.24 g/mol
LogP3.79
Rot. Bonds2

About 1-methyl-3-phenoxybenzene

1-methyl-3-phenoxybenzene (PubChem CID 19165) has the molecular formula C13H12O and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-methyl-3-phenoxybenzene.

Molecular Properties

Compound Name1-methyl-3-phenoxybenzene
PubChem CID19165
Molecular FormulaC13H12O
Molecular Weight184.24 g/mol
Exact Mass184.09
IUPAC Name1-methyl-3-phenoxybenzene
SMILESCc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C13H12O/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12/h2-10H,1H3
InChIKeyUDONPJKEOAWFGI-UHFFFAOYSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenoxybenzene?
The IUPAC name of 1-methyl-3-phenoxybenzene (CID 19165) is 1-methyl-3-phenoxybenzene.
What is the SMILES notation for 1-methyl-3-phenoxybenzene?
The canonical SMILES for 1-methyl-3-phenoxybenzene is Cc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 1-methyl-3-phenoxybenzene?
The InChIKey is UDONPJKEOAWFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12/h2-10H,1H3.
What are the key properties of 1-methyl-3-phenoxybenzene?
1-methyl-3-phenoxybenzene has a molecular weight of 184.24 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenoxybenzene is sourced from PubChem (CID 19165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).