1,3,5-trimethyl-2-[2-(4-methylphenoxy)ethoxy]benzene

C18H22O2 — CID 143724561

IUPAC1,3,5-trimethyl-2-[2-(4-methylphenoxy)ethoxy]benzene
SMILESCc1ccc(OCCOc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C18H22O2/c1-13-5-7-17(8-6-13)19-9-10-20-18-15(3)11-14(2)12-16(18)4/h5-8,11-12H,9-10H2,1-4H3
InChIKeySIRWYSXBSYTPSK-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.38
Rot. Bonds5

About 1,3,5-trimethyl-2-[2-(4-methylphenoxy)ethoxy]benzene

1,3,5-trimethyl-2-[2-(4-methylphenoxy)ethoxy]benzene (PubChem CID 143724561) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1,3,5-trimethyl-2-[2-(4-methylphenoxy)ethoxy]benzene.

Molecular Properties

Compound Name1,3,5-trimethyl-2-[2-(4-methylphenoxy)ethoxy]benzene
PubChem CID143724561
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name1,3,5-trimethyl-2-[2-(4-methylphenoxy)ethoxy]benzene
SMILESCc1ccc(OCCOc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C18H22O2/c1-13-5-7-17(8-6-13)19-9-10-20-18-15(3)11-14(2)12-16(18)4/h5-8,11-12H,9-10H2,1-4H3
InChIKeySIRWYSXBSYTPSK-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'}

Analyze 1,3,5-trimethyl-2-[2-(4-methylphenoxy)ethoxy]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(2,4,6-trimethylphenoxy)propoxy]aniline
CID 61218955
1,3-dichloro-5-methyl-2-[2-(4-methylphenoxy)ethoxy]benzene
CID 58376578
1-bromo-2-[2-(4-methoxyphenoxy)ethoxy]-3,5-dimethylbenzene
CID 2283505
1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 22218704
3,5-dimethyl-2-(2-phenoxyethoxy)aniline
CID 54853263
methane;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene)
CID 161180549
1-methoxy-4-[2-(4-methylphenoxy)ethoxy]benzene
CID 2284217
1-[2-(4-methoxyphenoxy)ethyl]-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974607
5-bromo-2-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]-1,3-dimethylbenzene
CID 2282940
1,3-ditert-butyl-5-[2-(4-methylphenoxy)ethoxy]benzene
CID 86190346
(2,4,6-trimethylphenyl) 4-(2-methoxyethoxy)benzenesulfonate
CID 35297587
1-methyl-4-[2-(2-propoxyethoxy)ethoxy]benzene
CID 58462382

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-2-[2-(4-methylphenoxy)ethoxy]benzene?
The IUPAC name of 1,3,5-trimethyl-2-[2-(4-methylphenoxy)ethoxy]benzene (CID 143724561) is 1,3,5-trimethyl-2-[2-(4-methylphenoxy)ethoxy]benzene.
What is the SMILES notation for 1,3,5-trimethyl-2-[2-(4-methylphenoxy)ethoxy]benzene?
The canonical SMILES for 1,3,5-trimethyl-2-[2-(4-methylphenoxy)ethoxy]benzene is Cc1ccc(OCCOc2c(C)cc(C)cc2C)cc1.
What is the InChIKey of 1,3,5-trimethyl-2-[2-(4-methylphenoxy)ethoxy]benzene?
The InChIKey is SIRWYSXBSYTPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-13-5-7-17(8-6-13)19-9-10-20-18-15(3)11-14(2)12-16(18)4/h5-8,11-12H,9-10H2,1-4H3.
What are the key properties of 1,3,5-trimethyl-2-[2-(4-methylphenoxy)ethoxy]benzene?
1,3,5-trimethyl-2-[2-(4-methylphenoxy)ethoxy]benzene 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 1,3,5-trimethyl-2-[2-(4-methylphenoxy)ethoxy]benzene is sourced from PubChem (CID 143724561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).