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

C18H22O3 — CID 2251707

IUPAC1-methoxy-4-[4-(3-methylphenoxy)butoxy]benzene
SMILESCOc1ccc(OCCCCOc2cccc(C)c2)cc1
InChIInChI=1S/C18H22O3/c1-15-6-5-7-18(14-15)21-13-4-3-12-20-17-10-8-16(19-2)9-11-17/h5-11,14H,3-4,12-13H2,1-2H3
InChIKeyBXHOCRVUXOCSRP-UHFFFAOYSA-N
MW286.37 g/mol
LogP4.24
Rot. Bonds8

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

1-methoxy-4-[4-(3-methylphenoxy)butoxy]benzene (PubChem CID 2251707) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-methoxy-4-[4-(3-methylphenoxy)butoxy]benzene.

Molecular Properties

Compound Name1-methoxy-4-[4-(3-methylphenoxy)butoxy]benzene
PubChem CID2251707
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name1-methoxy-4-[4-(3-methylphenoxy)butoxy]benzene
SMILESCOc1ccc(OCCCCOc2cccc(C)c2)cc1
InChIInChI=1S/C18H22O3/c1-15-6-5-7-18(14-15)21-13-4-3-12-20-17-10-8-16(19-2)9-11-17/h5-11,14H,3-4,12-13H2,1-2H3
InChIKeyBXHOCRVUXOCSRP-UHFFFAOYSA-N
XLogP4.24
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-[2-(3-methylphenoxy)ethoxy]benzene
CID 14047829
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
1-[4-(3-methoxyphenoxy)butoxy]-3,5-dimethylbenzene
CID 2251913
5-methoxy-2-[4-(3-methylphenoxy)butoxy]aniline
CID 82097281
1-hexadecoxy-3-methylbenzene
CID 154641790
1-methyl-3-pentadecoxybenzene
CID 154641822
5-methoxy-2-[3-(3-methylphenoxy)propoxy]aniline
CID 82097157
5-(3-methylphenoxy)pentoxyphosphane
CID 175344008
3-[4-(3-methylphenoxy)butoxy]aniline
CID 39109349
4-(3-methylphenoxy)butoxyphosphane;hydrobromide
CID 174049050
4-[3-(3-methylphenoxy)propoxy]benzonitrile
CID 43213922

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[4-(3-methylphenoxy)butoxy]benzene?
The IUPAC name of 1-methoxy-4-[4-(3-methylphenoxy)butoxy]benzene (CID 2251707) is 1-methoxy-4-[4-(3-methylphenoxy)butoxy]benzene.
What is the SMILES notation for 1-methoxy-4-[4-(3-methylphenoxy)butoxy]benzene?
The canonical SMILES for 1-methoxy-4-[4-(3-methylphenoxy)butoxy]benzene is COc1ccc(OCCCCOc2cccc(C)c2)cc1.
What is the InChIKey of 1-methoxy-4-[4-(3-methylphenoxy)butoxy]benzene?
The InChIKey is BXHOCRVUXOCSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-15-6-5-7-18(14-15)21-13-4-3-12-20-17-10-8-16(19-2)9-11-17/h5-11,14H,3-4,12-13H2,1-2H3.
What are the key properties of 1-methoxy-4-[4-(3-methylphenoxy)butoxy]benzene?
1-methoxy-4-[4-(3-methylphenoxy)butoxy]benzene has a molecular weight of 286.37 g/mol, XLogP of 4.24, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[4-(3-methylphenoxy)butoxy]benzene is sourced from PubChem (CID 2251707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).