1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene

C20H26O2 — CID 2304788

IUPAC1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
SMILESCc1cccc(OCCCCCCOc2cccc(C)c2)c1
InChIInChI=1S/C20H26O2/c1-17-9-7-11-19(15-17)21-13-5-3-4-6-14-22-20-12-8-10-18(2)16-20/h7-12,15-16H,3-6,13-14H2,1-2H3
InChIKeyRZKTXHFFAWIGCX-UHFFFAOYSA-N
MW298.43 g/mol
LogP5.32
Rot. Bonds9

About 1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene

1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene (PubChem CID 2304788) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene.

Molecular Properties

Compound Name1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
PubChem CID2304788
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
SMILESCc1cccc(OCCCCCCOc2cccc(C)c2)c1
InChIInChI=1S/C20H26O2/c1-17-9-7-11-19(15-17)21-13-5-3-4-6-14-22-20-12-8-10-18(2)16-20/h7-12,15-16H,3-6,13-14H2,1-2H3
InChIKeyRZKTXHFFAWIGCX-UHFFFAOYSA-N
XLogP5.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methyl-3-[6-(3-methylphenoxy)hexoxy]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

1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
1-hexadecoxy-3-methylbenzene
CID 154641790
1-methyl-3-pentadecoxybenzene
CID 154641822
5-(3-methylphenoxy)pentoxyphosphane
CID 175344008
3-[4-(3-methylphenoxy)butoxy]aniline
CID 39109349
1-methoxy-4-[4-(3-methylphenoxy)butoxy]benzene
CID 2251707
4-(3-methylphenoxy)butoxyphosphane;hydrobromide
CID 174049050
1-(3-iodopropoxy)-3-methylbenzene
CID 64788353
1-ethoxy-3-[3-(3-methylphenoxy)propoxy]benzene
CID 2284499
N-butyl-6-(3-methylphenoxy)hexan-1-amine
CID 2249508
1-[6-(3-methylphenoxy)hexyl]pyrrolidine
CID 2057335
methyl-[2-(3-methylphenoxy)ethyl]azanium
CID 7131761

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene?
The IUPAC name of 1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene (CID 2304788) is 1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene.
What is the SMILES notation for 1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene?
The canonical SMILES for 1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene is Cc1cccc(OCCCCCCOc2cccc(C)c2)c1.
What is the InChIKey of 1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene?
The InChIKey is RZKTXHFFAWIGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2/c1-17-9-7-11-19(15-17)21-13-5-3-4-6-14-22-20-12-8-10-18(2)16-20/h7-12,15-16H,3-6,13-14H2,1-2H3.
What are the key properties of 1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene?
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene has a molecular weight of 298.43 g/mol, XLogP of 5.32, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene is sourced from PubChem (CID 2304788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).