4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene

C18H22O2 — CID 2195047

IUPAC4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene
SMILESCc1ccc(OCCOc2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C18H22O2/c1-13-5-7-17(11-15(13)3)19-9-10-20-18-8-6-14(2)16(4)12-18/h5-8,11-12H,9-10H2,1-4H3
InChIKeyUNWQQDVKWZXBEG-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.38
Rot. Bonds5

About 4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene

4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene (PubChem CID 2195047) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene
PubChem CID2195047
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene
SMILESCc1ccc(OCCOc2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C18H22O2/c1-13-5-7-17(11-15(13)3)19-9-10-20-18-8-6-14(2)16(4)12-18/h5-8,11-12H,9-10H2,1-4H3
InChIKeyUNWQQDVKWZXBEG-UHFFFAOYSA-N
XLogP4.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(3,4-dimethylphenoxy)butoxy]-1,2-dimethylbenzene
CID 2227623
1,2-dimethyl-4-propoxybenzene
CID 23549082
4-(3-chloropropoxy)-1,2-dimethylbenzene
CID 16788005
1,2-dimethyl-4-(2-propoxyethoxy)benzene
CID 155584258
2-[2-(3,4-dimethylphenoxy)ethoxy]ethanol
CID 61074623
2-(3,4-dimethylphenoxy)-N,N-dimethylethanamine
CID 82075858
4-[2-(2-hexoxyethoxy)ethoxy]-1,2-dimethylbenzene
CID 129113813
4-(3,4-dimethylphenoxy)butan-2-amine
CID 43118968
4-[2-(6-bromohexoxy)ethoxy]-1,2-dimethylbenzene
CID 23045318
2-[3-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]ethanamine
CID 22681607
2-[4-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]-1,3-dithiolane
CID 19989562
7-[2-(3,4-dimethylphenoxy)ethoxy]chromen-2-one
CID 2384022

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene?
The IUPAC name of 4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene (CID 2195047) is 4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene.
What is the SMILES notation for 4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene?
The canonical SMILES for 4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene is Cc1ccc(OCCOc2ccc(C)c(C)c2)cc1C.
What is the InChIKey of 4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene?
The InChIKey is UNWQQDVKWZXBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-13-5-7-17(11-15(13)3)19-9-10-20-18-8-6-14(2)16(4)12-18/h5-8,11-12H,9-10H2,1-4H3.
What are the key properties of 4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene?
4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene has a molecular weight of 270.37 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene is sourced from PubChem (CID 2195047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).