1-[1-[2-(2,3-dimethylphenyl)propoxy]propan-2-yl]-2,3-dimethylbenzene

C22H30O — CID 139620265

IUPAC1-[1-[2-(2,3-dimethylphenyl)propoxy]propan-2-yl]-2,3-dimethylbenzene
SMILESCc1cccc(C(C)COCC(C)c2cccc(C)c2C)c1C
InChIInChI=1S/C22H30O/c1-15-9-7-11-21(19(15)5)17(3)13-23-14-18(4)22-12-8-10-16(2)20(22)6/h7-12,17-18H,13-14H2,1-6H3
InChIKeyFZJJIZLALZBYOU-UHFFFAOYSA-N
MW310.48 g/mol
LogP5.84
Rot. Bonds6

About 1-[1-[2-(2,3-dimethylphenyl)propoxy]propan-2-yl]-2,3-dimethylbenzene

1-[1-[2-(2,3-dimethylphenyl)propoxy]propan-2-yl]-2,3-dimethylbenzene (PubChem CID 139620265) has the molecular formula C22H30O and a molecular weight of 310.48 g/mol. Its IUPAC name is 1-[1-[2-(2,3-dimethylphenyl)propoxy]propan-2-yl]-2,3-dimethylbenzene.

Molecular Properties

Compound Name1-[1-[2-(2,3-dimethylphenyl)propoxy]propan-2-yl]-2,3-dimethylbenzene
PubChem CID139620265
Molecular FormulaC22H30O
Molecular Weight310.48 g/mol
Exact Mass310.23
IUPAC Name1-[1-[2-(2,3-dimethylphenyl)propoxy]propan-2-yl]-2,3-dimethylbenzene
SMILESCc1cccc(C(C)COCC(C)c2cccc(C)c2C)c1C
InChIInChI=1S/C22H30O/c1-15-9-7-11-21(19(15)5)17(3)13-23-14-18(4)22-12-8-10-16(2)20(22)6/h7-12,17-18H,13-14H2,1-6H3
InChIKeyFZJJIZLALZBYOU-UHFFFAOYSA-N
XLogP5.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.48
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromopentan-2-yl)-2,3-dimethylbenzene
CID 64718581
1-(4-chloropentan-2-yl)-2,3-dimethylbenzene
CID 64719009
1-[1-(2-naphthalen-1-ylpropoxy)propan-2-yl]naphthalene
CID 69118835
1-(1-ethoxyethyl)-2,3-dimethylbenzene
CID 19386638
(1R)-1-(2,3-dimethylphenyl)-2-methylbutan-1-amine
CID 130806142
(1R)-1-(2,3-dimethylphenyl)-2-methoxyethanamine
CID 55291597
1-(2,3-dimethylphenyl)-2-methylbutan-1-ol
CID 63719064
1,2-dimethyl-3-propan-2-ylbenzene;N-methylmethanamine
CID 143062777
2-[1-(2,3-dimethylphenyl)ethyl]propane-1,3-diamine
CID 83921996
5-(2,3-dimethylphenyl)hexanoic acid
CID 68852167
1-(2,3-dimethylphenyl)-3-(2-methoxyethoxy)propan-1-amine
CID 102927761
1,2-dimethyl-3-(1-methylsulfanylethyl)benzene
CID 86182436

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2,3-dimethylphenyl)propoxy]propan-2-yl]-2,3-dimethylbenzene?
The IUPAC name of 1-[1-[2-(2,3-dimethylphenyl)propoxy]propan-2-yl]-2,3-dimethylbenzene (CID 139620265) is 1-[1-[2-(2,3-dimethylphenyl)propoxy]propan-2-yl]-2,3-dimethylbenzene.
What is the SMILES notation for 1-[1-[2-(2,3-dimethylphenyl)propoxy]propan-2-yl]-2,3-dimethylbenzene?
The canonical SMILES for 1-[1-[2-(2,3-dimethylphenyl)propoxy]propan-2-yl]-2,3-dimethylbenzene is Cc1cccc(C(C)COCC(C)c2cccc(C)c2C)c1C.
What is the InChIKey of 1-[1-[2-(2,3-dimethylphenyl)propoxy]propan-2-yl]-2,3-dimethylbenzene?
The InChIKey is FZJJIZLALZBYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O/c1-15-9-7-11-21(19(15)5)17(3)13-23-14-18(4)22-12-8-10-16(2)20(22)6/h7-12,17-18H,13-14H2,1-6H3.
What are the key properties of 1-[1-[2-(2,3-dimethylphenyl)propoxy]propan-2-yl]-2,3-dimethylbenzene?
1-[1-[2-(2,3-dimethylphenyl)propoxy]propan-2-yl]-2,3-dimethylbenzene has a molecular weight of 310.48 g/mol, XLogP of 5.84, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2,3-dimethylphenyl)propoxy]propan-2-yl]-2,3-dimethylbenzene is sourced from PubChem (CID 139620265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).