1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene

C18H22O2 — CID 2237989

IUPAC1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
SMILESCc1cccc(OCCCCOc2cccc(C)c2)c1
InChIInChI=1S/C18H22O2/c1-15-7-5-9-17(13-15)19-11-3-4-12-20-18-10-6-8-16(2)14-18/h5-10,13-14H,3-4,11-12H2,1-2H3
InChIKeyAOOANRPEFWMIJT-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.54
Rot. Bonds7

About 1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene

1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene (PubChem CID 2237989) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene.

Molecular Properties

Compound Name1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
PubChem CID2237989
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
SMILESCc1cccc(OCCCCOc2cccc(C)c2)c1
InChIInChI=1S/C18H22O2/c1-15-7-5-9-17(13-15)19-11-3-4-12-20-18-10-6-8-16(2)14-18/h5-10,13-14H,3-4,11-12H2,1-2H3
InChIKeyAOOANRPEFWMIJT-UHFFFAOYSA-N
XLogP4.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.54
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

1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
1-methyl-3-pentadecoxybenzene
CID 154641822
1-hexadecoxy-3-methylbenzene
CID 154641790
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
trimethyl-[2-(3-methylphenoxy)ethyl]azanium iodide
CID 160571786
methyl-[2-(3-methylphenoxy)ethyl]azanium
CID 7131761
1-methoxy-4-[2-(3-methylphenoxy)ethoxy]benzene
CID 14047829

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene?
The IUPAC name of 1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene (CID 2237989) is 1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene.
What is the SMILES notation for 1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene?
The canonical SMILES for 1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene is Cc1cccc(OCCCCOc2cccc(C)c2)c1.
What is the InChIKey of 1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene?
The InChIKey is AOOANRPEFWMIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-15-7-5-9-17(13-15)19-11-3-4-12-20-18-10-6-8-16(2)14-18/h5-10,13-14H,3-4,11-12H2,1-2H3.
What are the key properties of 1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene?
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene has a molecular weight of 270.37 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene is sourced from PubChem (CID 2237989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).