1-[2-[2-(2,3-dimethylphenyl)ethoxy]ethyl]-2,3-dimethylbenzene

C20H26O — CID 139601612

IUPAC1-[2-[2-(2,3-dimethylphenyl)ethoxy]ethyl]-2,3-dimethylbenzene
SMILESCc1cccc(CCOCCc2cccc(C)c2C)c1C
InChIInChI=1S/C20H26O/c1-15-7-5-9-19(17(15)3)11-13-21-14-12-20-10-6-8-16(2)18(20)4/h5-10H,11-14H2,1-4H3
InChIKeyATYGKDFDBQAEOR-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.72
Rot. Bonds6

About 1-[2-[2-(2,3-dimethylphenyl)ethoxy]ethyl]-2,3-dimethylbenzene

1-[2-[2-(2,3-dimethylphenyl)ethoxy]ethyl]-2,3-dimethylbenzene (PubChem CID 139601612) has the molecular formula C20H26O and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-[2-[2-(2,3-dimethylphenyl)ethoxy]ethyl]-2,3-dimethylbenzene.

Molecular Properties

Compound Name1-[2-[2-(2,3-dimethylphenyl)ethoxy]ethyl]-2,3-dimethylbenzene
PubChem CID139601612
Molecular FormulaC20H26O
Molecular Weight282.43 g/mol
Exact Mass282.20
IUPAC Name1-[2-[2-(2,3-dimethylphenyl)ethoxy]ethyl]-2,3-dimethylbenzene
SMILESCc1cccc(CCOCCc2cccc(C)c2C)c1C
InChIInChI=1S/C20H26O/c1-15-7-5-9-19(17(15)3)11-13-21-14-12-20-10-6-8-16(2)18(20)4/h5-10H,11-14H2,1-4H3
InChIKeyATYGKDFDBQAEOR-UHFFFAOYSA-N
XLogP4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-(2,6-dimethylphenyl)ethoxy]ethyl]-1,3-dimethylbenzene
CID 139601622
1,2-dimethyl-3-(3-methylbutyl)benzene
CID 86189898
1-(3-bromopropyl)-2,3-dimethylbenzene
CID 59407640
1-(fluoromethyl)-2,3-dimethylbenzene
CID 15724442
1-[[4-[(2,3-dimethylphenyl)methyl]phenyl]methyl]-2,3-dimethylbenzene
CID 123304206
1-ethyl-2-[2-[2-(2-ethylphenyl)ethoxy]ethyl]benzene
CID 139601615
acetylene;1-ethyl-2,3-dimethylbenzene
CID 174688234
1,2-dimethyl-3-(2-methylpropoxymethyl)benzene
CID 122553324
azane;1-decyl-2,3-dimethylbenzene;hydrate
CID 174675361
N-[(2,3-dimethylphenyl)methyl]-2-ethoxyethanamine
CID 60956458
2-[2-(2,3-dimethylphenoxy)ethyl]aniline
CID 55079573
5-(2,3-dimethylphenyl)pentane-2,3-diol
CID 83922085

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2,3-dimethylphenyl)ethoxy]ethyl]-2,3-dimethylbenzene?
The IUPAC name of 1-[2-[2-(2,3-dimethylphenyl)ethoxy]ethyl]-2,3-dimethylbenzene (CID 139601612) is 1-[2-[2-(2,3-dimethylphenyl)ethoxy]ethyl]-2,3-dimethylbenzene.
What is the SMILES notation for 1-[2-[2-(2,3-dimethylphenyl)ethoxy]ethyl]-2,3-dimethylbenzene?
The canonical SMILES for 1-[2-[2-(2,3-dimethylphenyl)ethoxy]ethyl]-2,3-dimethylbenzene is Cc1cccc(CCOCCc2cccc(C)c2C)c1C.
What is the InChIKey of 1-[2-[2-(2,3-dimethylphenyl)ethoxy]ethyl]-2,3-dimethylbenzene?
The InChIKey is ATYGKDFDBQAEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O/c1-15-7-5-9-19(17(15)3)11-13-21-14-12-20-10-6-8-16(2)18(20)4/h5-10H,11-14H2,1-4H3.
What are the key properties of 1-[2-[2-(2,3-dimethylphenyl)ethoxy]ethyl]-2,3-dimethylbenzene?
1-[2-[2-(2,3-dimethylphenyl)ethoxy]ethyl]-2,3-dimethylbenzene has a molecular weight of 282.43 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2,3-dimethylphenyl)ethoxy]ethyl]-2,3-dimethylbenzene is sourced from PubChem (CID 139601612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).