1-butyl-4-[2-(4-ethoxyphenyl)propan-2-yl]benzene

C21H28O — CID 54365174

IUPAC1-butyl-4-[2-(4-ethoxyphenyl)propan-2-yl]benzene
SMILESCCCCc1ccc(C(C)(C)c2ccc(OCC)cc2)cc1
InChIInChI=1S/C21H28O/c1-5-7-8-17-9-11-18(12-10-17)21(3,4)19-13-15-20(16-14-19)22-6-2/h9-16H,5-8H2,1-4H3
InChIKeyUPGXXIFUCVQGFM-UHFFFAOYSA-N
MW296.45 g/mol
LogP5.75
Rot. Bonds7

About 1-butyl-4-[2-(4-ethoxyphenyl)propan-2-yl]benzene

1-butyl-4-[2-(4-ethoxyphenyl)propan-2-yl]benzene (PubChem CID 54365174) has the molecular formula C21H28O and a molecular weight of 296.45 g/mol. Its IUPAC name is 1-butyl-4-[2-(4-ethoxyphenyl)propan-2-yl]benzene.

Molecular Properties

Compound Name1-butyl-4-[2-(4-ethoxyphenyl)propan-2-yl]benzene
PubChem CID54365174
Molecular FormulaC21H28O
Molecular Weight296.45 g/mol
Exact Mass296.21
IUPAC Name1-butyl-4-[2-(4-ethoxyphenyl)propan-2-yl]benzene
SMILESCCCCc1ccc(C(C)(C)c2ccc(OCC)cc2)cc1
InChIInChI=1S/C21H28O/c1-5-7-8-17-9-11-18(12-10-17)21(3,4)19-13-15-20(16-14-19)22-6-2/h9-16H,5-8H2,1-4H3
InChIKeyUPGXXIFUCVQGFM-UHFFFAOYSA-N
XLogP5.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.45
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-butyl-4-[2-[4-[2-(4-ethoxyphenyl)propan-2-yl]phenyl]propan-2-yl]benzene
CID 170603027
1-butyl-4-[2-[4-(4-chlorobutyl)phenyl]propan-2-yl]benzene
CID 134339617
1-methyl-4-[2-[4-[2-(4-nonylphenyl)propan-2-yl]phenyl]propan-2-yl]benzene
CID 159793185
4-[2-(4-pentylphenyl)propan-2-yl]phenol
CID 174631363
1-ethoxy-4-[(E)-2-(4-octylphenyl)ethenyl]benzene
CID 22662535
1-tert-butyl-4-[2-(4-tert-butylphenyl)propan-2-yl]benzene;1-hexyl-4-[2-(4-hexylphenyl)propan-2-yl]benzene;1-methoxy-4-(2-phenylpropan-2-yl)benzene;1-octyl-4-[2-(4-octylphenyl)propan-2-yl]benzene
CID 123210298
1-(4-butylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874274
4-(4-ethoxyphenyl)butane-1-thiol
CID 94681692
1-butyl-4-(triethoxymethyl)benzene
CID 166447467
[4-[2-[4-(4-hexylbenzoyl)oxyphenyl]propan-2-yl]phenyl] 4-hexylbenzoate
CID 20688225
1-butoxy-4-(3,3-dimethylbutyl)benzene
CID 167030877
1-butyl-4-(4-chlorobutoxy)benzene
CID 115492522

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-[2-(4-ethoxyphenyl)propan-2-yl]benzene?
The IUPAC name of 1-butyl-4-[2-(4-ethoxyphenyl)propan-2-yl]benzene (CID 54365174) is 1-butyl-4-[2-(4-ethoxyphenyl)propan-2-yl]benzene.
What is the SMILES notation for 1-butyl-4-[2-(4-ethoxyphenyl)propan-2-yl]benzene?
The canonical SMILES for 1-butyl-4-[2-(4-ethoxyphenyl)propan-2-yl]benzene is CCCCc1ccc(C(C)(C)c2ccc(OCC)cc2)cc1.
What is the InChIKey of 1-butyl-4-[2-(4-ethoxyphenyl)propan-2-yl]benzene?
The InChIKey is UPGXXIFUCVQGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O/c1-5-7-8-17-9-11-18(12-10-17)21(3,4)19-13-15-20(16-14-19)22-6-2/h9-16H,5-8H2,1-4H3.
What are the key properties of 1-butyl-4-[2-(4-ethoxyphenyl)propan-2-yl]benzene?
1-butyl-4-[2-(4-ethoxyphenyl)propan-2-yl]benzene has a molecular weight of 296.45 g/mol, XLogP of 5.75, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-[2-(4-ethoxyphenyl)propan-2-yl]benzene is sourced from PubChem (CID 54365174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).