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

C21H28 — CID 57156341

IUPAC1-butyl-4-[(4-butylphenyl)methyl]benzene
SMILESCCCCc1ccc(Cc2ccc(CCCC)cc2)cc1
InChIInChI=1S/C21H28/c1-3-5-7-18-9-13-20(14-10-18)17-21-15-11-19(12-16-21)8-6-4-2/h9-16H,3-8,17H2,1-2H3
InChIKeyMKMQVUFNERPCRX-UHFFFAOYSA-N
MW280.46 g/mol
LogP5.96
Rot. Bonds8

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

1-butyl-4-[(4-butylphenyl)methyl]benzene (PubChem CID 57156341) has the molecular formula C21H28 and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-butyl-4-[(4-butylphenyl)methyl]benzene.

Molecular Properties

Compound Name1-butyl-4-[(4-butylphenyl)methyl]benzene
PubChem CID57156341
Molecular FormulaC21H28
Molecular Weight280.46 g/mol
Exact Mass280.22
IUPAC Name1-butyl-4-[(4-butylphenyl)methyl]benzene
SMILESCCCCc1ccc(Cc2ccc(CCCC)cc2)cc1
InChIInChI=1S/C21H28/c1-3-5-7-18-9-13-20(14-10-18)17-21-15-11-19(12-16-21)8-6-4-2/h9-16H,3-8,17H2,1-2H3
InChIKeyMKMQVUFNERPCRX-UHFFFAOYSA-N
XLogP5.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.46
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-bis[(4-butylphenyl)methyl]benzene
CID 58021495
1,4-bis[(4-butylphenyl)methyl]benzene;ethane
CID 91530011
1-butyl-4-nonylbenzene
CID 59545302
1-propyl-4-[(4-propylphenyl)methyl]benzene
CID 4064340
1-butyl-4-methylbenzene;N-methylmethanamine
CID 143818952
4-[(4-octadecylphenyl)methyl]aniline
CID 67687267
1,3-bis[(4-dodecylphenyl)methyl]benzene
CID 58298682
1-butyl-4-[(4-butylphenyl)methoxymethyl]benzene
CID 21471119
4-butylphenol;tungsten
CID 174758928
CID 57493424
CID 57493424
4-[[4-[12-[4-[(4-amino-3-butylphenyl)methyl]phenyl]dodecyl]phenyl]methyl]-2-butylaniline
CID 22919045
lithium;4-butylphenol;hydride
CID 174758234

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-[(4-butylphenyl)methyl]benzene?
The IUPAC name of 1-butyl-4-[(4-butylphenyl)methyl]benzene (CID 57156341) is 1-butyl-4-[(4-butylphenyl)methyl]benzene.
What is the SMILES notation for 1-butyl-4-[(4-butylphenyl)methyl]benzene?
The canonical SMILES for 1-butyl-4-[(4-butylphenyl)methyl]benzene is CCCCc1ccc(Cc2ccc(CCCC)cc2)cc1.
What is the InChIKey of 1-butyl-4-[(4-butylphenyl)methyl]benzene?
The InChIKey is MKMQVUFNERPCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28/c1-3-5-7-18-9-13-20(14-10-18)17-21-15-11-19(12-16-21)8-6-4-2/h9-16H,3-8,17H2,1-2H3.
What are the key properties of 1-butyl-4-[(4-butylphenyl)methyl]benzene?
1-butyl-4-[(4-butylphenyl)methyl]benzene has a molecular weight of 280.46 g/mol, XLogP of 5.96, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-[(4-butylphenyl)methyl]benzene is sourced from PubChem (CID 57156341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).