1-(2,5-dimethylphenoxy)-2,3-dimethylbenzene

C16H18O — CID 19792455

IUPAC1-(2,5-dimethylphenoxy)-2,3-dimethylbenzene
SMILESCc1ccc(C)c(Oc2cccc(C)c2C)c1
InChIInChI=1S/C16H18O/c1-11-8-9-13(3)16(10-11)17-15-7-5-6-12(2)14(15)4/h5-10H,1-4H3
InChIKeyKPDBEEHYDNMXBR-UHFFFAOYSA-N
MW226.32 g/mol
LogP4.71
Rot. Bonds2

About 1-(2,5-dimethylphenoxy)-2,3-dimethylbenzene

1-(2,5-dimethylphenoxy)-2,3-dimethylbenzene (PubChem CID 19792455) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(2,5-dimethylphenoxy)-2,3-dimethylbenzene.

Molecular Properties

Compound Name1-(2,5-dimethylphenoxy)-2,3-dimethylbenzene
PubChem CID19792455
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name1-(2,5-dimethylphenoxy)-2,3-dimethylbenzene
SMILESCc1ccc(C)c(Oc2cccc(C)c2C)c1
InChIInChI=1S/C16H18O/c1-11-8-9-13(3)16(10-11)17-15-7-5-6-12(2)14(15)4/h5-10H,1-4H3
InChIKeyKPDBEEHYDNMXBR-UHFFFAOYSA-N
XLogP4.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dimethylphenoxy)-2,3,4,5-tetramethylbenzene
CID 71382789
2-(2,5-dimethylphenoxy)-3-methylaniline
CID 115550838
4-(2,5-dimethylphenoxy)-2,3-dimethylphenol
CID 18994510
2-(2,5-dimethylphenoxy)-6-fluoroaniline
CID 54920394
1-chloro-2-(chloromethyl)-3-(2,5-dimethylphenoxy)benzene
CID 28947175
2-(2,3-dimethylphenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930140
1-(2,3-dimethylphenoxy)-2-methoxy-3,4-dimethylbenzene
CID 91665025
[2-chloro-6-(2,5-dimethylphenoxy)phenyl]methanamine
CID 28966143
[2-(2,5-dimethylphenoxy)-6-fluorophenyl]methanamine
CID 79516549
(1R)-1-[2-(2,5-dimethylphenoxy)-6-fluorophenyl]ethanol
CID 78941581
2-chloro-6-(2,5-dimethylphenoxy)benzoic acid
CID 29037319
2-(2,5-dimethylphenoxy)-6-fluorobenzoic acid
CID 79511660

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenoxy)-2,3-dimethylbenzene?
The IUPAC name of 1-(2,5-dimethylphenoxy)-2,3-dimethylbenzene (CID 19792455) is 1-(2,5-dimethylphenoxy)-2,3-dimethylbenzene.
What is the SMILES notation for 1-(2,5-dimethylphenoxy)-2,3-dimethylbenzene?
The canonical SMILES for 1-(2,5-dimethylphenoxy)-2,3-dimethylbenzene is Cc1ccc(C)c(Oc2cccc(C)c2C)c1.
What is the InChIKey of 1-(2,5-dimethylphenoxy)-2,3-dimethylbenzene?
The InChIKey is KPDBEEHYDNMXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O/c1-11-8-9-13(3)16(10-11)17-15-7-5-6-12(2)14(15)4/h5-10H,1-4H3.
What are the key properties of 1-(2,5-dimethylphenoxy)-2,3-dimethylbenzene?
1-(2,5-dimethylphenoxy)-2,3-dimethylbenzene has a molecular weight of 226.32 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenoxy)-2,3-dimethylbenzene is sourced from PubChem (CID 19792455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).