1-butyl-4-[(4-butylphenyl)methoxymethyl]benzene

C22H30O — CID 21471119

IUPAC1-butyl-4-[(4-butylphenyl)methoxymethyl]benzene
SMILESCCCCc1ccc(COCc2ccc(CCCC)cc2)cc1
InChIInChI=1S/C22H30O/c1-3-5-7-19-9-13-21(14-10-19)17-23-18-22-15-11-20(12-16-22)8-6-4-2/h9-16H,3-8,17-18H2,1-2H3
InChIKeyUXOUMQYLLIYNAF-UHFFFAOYSA-N
MW310.48 g/mol
LogP6.09
Rot. Bonds10

About 1-butyl-4-[(4-butylphenyl)methoxymethyl]benzene

1-butyl-4-[(4-butylphenyl)methoxymethyl]benzene (PubChem CID 21471119) has the molecular formula C22H30O and a molecular weight of 310.48 g/mol. Its IUPAC name is 1-butyl-4-[(4-butylphenyl)methoxymethyl]benzene.

Molecular Properties

Compound Name1-butyl-4-[(4-butylphenyl)methoxymethyl]benzene
PubChem CID21471119
Molecular FormulaC22H30O
Molecular Weight310.48 g/mol
Exact Mass310.23
IUPAC Name1-butyl-4-[(4-butylphenyl)methoxymethyl]benzene
SMILESCCCCc1ccc(COCc2ccc(CCCC)cc2)cc1
InChIInChI=1S/C22H30O/c1-3-5-7-19-9-13-21(14-10-19)17-23-18-22-15-11-20(12-16-22)8-6-4-2/h9-16H,3-8,17-18H2,1-2H3
InChIKeyUXOUMQYLLIYNAF-UHFFFAOYSA-N
XLogP6.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.48
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-decyl-4-[(4-decylphenyl)methoxymethyl]benzene
CID 154488983
1-butyl-4-(2-phenylmethoxyethyl)benzene
CID 137452332
1-butyl-4-[4-(prop-2-enoxymethyl)phenyl]benzene
CID 67893959
1,4-bis[(4-butylphenyl)methyl]benzene
CID 58021495
1-butyl-4-[(4-butylphenyl)methyl]benzene
CID 57156341
1-butyl-4-nonylbenzene
CID 59545302
4-butylphenol;tungsten
CID 174758928
1,4-bis[(4-butylphenyl)methyl]benzene;ethane
CID 91530011
lithium;4-butylphenol;hydride
CID 174758234
4-[(4-butylphenoxy)methyl]aniline
CID 115492301
1-butyl-4-methylbenzene;trifluoroalumane
CID 175081213
O-(4-butylphenyl)hydroxylamine
CID 176620577

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-[(4-butylphenyl)methoxymethyl]benzene?
The IUPAC name of 1-butyl-4-[(4-butylphenyl)methoxymethyl]benzene (CID 21471119) is 1-butyl-4-[(4-butylphenyl)methoxymethyl]benzene.
What is the SMILES notation for 1-butyl-4-[(4-butylphenyl)methoxymethyl]benzene?
The canonical SMILES for 1-butyl-4-[(4-butylphenyl)methoxymethyl]benzene is CCCCc1ccc(COCc2ccc(CCCC)cc2)cc1.
What is the InChIKey of 1-butyl-4-[(4-butylphenyl)methoxymethyl]benzene?
The InChIKey is UXOUMQYLLIYNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O/c1-3-5-7-19-9-13-21(14-10-19)17-23-18-22-15-11-20(12-16-22)8-6-4-2/h9-16H,3-8,17-18H2,1-2H3.
What are the key properties of 1-butyl-4-[(4-butylphenyl)methoxymethyl]benzene?
1-butyl-4-[(4-butylphenyl)methoxymethyl]benzene has a molecular weight of 310.48 g/mol, XLogP of 6.09, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-[(4-butylphenyl)methoxymethyl]benzene is sourced from PubChem (CID 21471119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).