1-methoxy-4-[1-[2-(4-methoxyphenyl)butoxy]butan-2-yl]benzene

C22H30O3 — CID 139824565

IUPAC1-methoxy-4-[1-[2-(4-methoxyphenyl)butoxy]butan-2-yl]benzene
SMILESCCC(COCC(CC)c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C22H30O3/c1-5-17(19-7-11-21(23-3)12-8-19)15-25-16-18(6-2)20-9-13-22(24-4)14-10-20/h7-14,17-18H,5-6,15-16H2,1-4H3
InChIKeyJXRJCKNAOZJFRX-UHFFFAOYSA-N
MW342.48 g/mol
LogP5.41
Rot. Bonds10

About 1-methoxy-4-[1-[2-(4-methoxyphenyl)butoxy]butan-2-yl]benzene

1-methoxy-4-[1-[2-(4-methoxyphenyl)butoxy]butan-2-yl]benzene (PubChem CID 139824565) has the molecular formula C22H30O3 and a molecular weight of 342.48 g/mol. Its IUPAC name is 1-methoxy-4-[1-[2-(4-methoxyphenyl)butoxy]butan-2-yl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[1-[2-(4-methoxyphenyl)butoxy]butan-2-yl]benzene
PubChem CID139824565
Molecular FormulaC22H30O3
Molecular Weight342.48 g/mol
Exact Mass342.22
IUPAC Name1-methoxy-4-[1-[2-(4-methoxyphenyl)butoxy]butan-2-yl]benzene
SMILESCCC(COCC(CC)c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C22H30O3/c1-5-17(19-7-11-21(23-3)12-8-19)15-25-16-18(6-2)20-9-13-22(24-4)14-10-20/h7-14,17-18H,5-6,15-16H2,1-4H3
InChIKeyJXRJCKNAOZJFRX-UHFFFAOYSA-N
XLogP5.41
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.48
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-methoxyphenyl)butan-1-amine
CID 15215732
ethane;1-hex-5-en-3-yl-4-methoxybenzene
CID 142172169
2-(2-ethylbutoxy)-1-(4-methoxyphenyl)ethanol
CID 114208512
2-(4-methoxyphenyl)propane-1,3-diamine
CID 20546608
1-methoxy-4-nonan-5-ylbenzene
CID 14937032
1-methoxy-4-(4-phenylhexan-2-yl)benzene
CID 134214893
1-methoxy-4-(3-methylpentan-2-yl)benzene
CID 138976766
[(1R)-1-(4-methoxyphenyl)propyl]azanium
CID 2496559
4-[5-(4-methoxyphenyl)hexan-3-yl]phenol
CID 20681979
4-(1-ethoxybutan-2-yl)phenol
CID 89112859
(4-butan-2-ylphenyl)-(4-methoxyphenyl)methanamine
CID 43198098
1-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 57010651

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[1-[2-(4-methoxyphenyl)butoxy]butan-2-yl]benzene?
The IUPAC name of 1-methoxy-4-[1-[2-(4-methoxyphenyl)butoxy]butan-2-yl]benzene (CID 139824565) is 1-methoxy-4-[1-[2-(4-methoxyphenyl)butoxy]butan-2-yl]benzene.
What is the SMILES notation for 1-methoxy-4-[1-[2-(4-methoxyphenyl)butoxy]butan-2-yl]benzene?
The canonical SMILES for 1-methoxy-4-[1-[2-(4-methoxyphenyl)butoxy]butan-2-yl]benzene is CCC(COCC(CC)c1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-4-[1-[2-(4-methoxyphenyl)butoxy]butan-2-yl]benzene?
The InChIKey is JXRJCKNAOZJFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O3/c1-5-17(19-7-11-21(23-3)12-8-19)15-25-16-18(6-2)20-9-13-22(24-4)14-10-20/h7-14,17-18H,5-6,15-16H2,1-4H3.
What are the key properties of 1-methoxy-4-[1-[2-(4-methoxyphenyl)butoxy]butan-2-yl]benzene?
1-methoxy-4-[1-[2-(4-methoxyphenyl)butoxy]butan-2-yl]benzene has a molecular weight of 342.48 g/mol, XLogP of 5.41, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[1-[2-(4-methoxyphenyl)butoxy]butan-2-yl]benzene is sourced from PubChem (CID 139824565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).