1-butyl-3-(1-phenylethyl)benzene

C18H22 — CID 141315490

IUPAC1-butyl-3-(1-phenylethyl)benzene
SMILESCCCCc1cccc(C(C)c2ccccc2)c1
InChIInChI=1S/C18H22/c1-3-4-9-16-10-8-13-18(14-16)15(2)17-11-6-5-7-12-17/h5-8,10-15H,3-4,9H2,1-2H3
InChIKeyUMRVSIYTANWSAZ-UHFFFAOYSA-N
MW238.37 g/mol
LogP5.18
Rot. Bonds5

About 1-butyl-3-(1-phenylethyl)benzene

1-butyl-3-(1-phenylethyl)benzene (PubChem CID 141315490) has the molecular formula C18H22 and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-butyl-3-(1-phenylethyl)benzene.

Molecular Properties

Compound Name1-butyl-3-(1-phenylethyl)benzene
PubChem CID141315490
Molecular FormulaC18H22
Molecular Weight238.37 g/mol
Exact Mass238.17
IUPAC Name1-butyl-3-(1-phenylethyl)benzene
SMILESCCCCc1cccc(C(C)c2ccccc2)c1
InChIInChI=1S/C18H22/c1-3-4-9-16-10-8-13-18(14-16)15(2)17-11-6-5-7-12-17/h5-8,10-15H,3-4,9H2,1-2H3
InChIKeyUMRVSIYTANWSAZ-UHFFFAOYSA-N
XLogP5.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.37
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(3-butylphenyl)butan-1-ol
CID 158563510
1-decan-2-yl-3-octylbenzene
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ethane;methane;2-methylpropane;pentane;1,3,5-tris(1-phenylethyl)benzene
CID 145108113
3-butyl-N-(3-butylphenyl)-N-phenylaniline
CID 90178850
1-methyl-3-[1-[4-(2-phenylethyl)phenyl]ethyl]benzene
CID 173470355
3-amino-1-(3-butylphenyl)propan-1-ol
CID 71229266
4-icosyl-2,6-bis(1-phenylethyl)phenol
CID 70441667
butylbenzene;propylbenzene
CID 142022125
1-butyl-3-(2-phenylethynyl)benzene
CID 139636204
3-(3-hexylphenyl)butan-1-amine
CID 130373287
2,4-dibutyl-1-(2-phenylpropyl)benzene
CID 141434105
1-(3-butylphenyl)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-methyloctan-1-ol
CID 162347411

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(1-phenylethyl)benzene?
The IUPAC name of 1-butyl-3-(1-phenylethyl)benzene (CID 141315490) is 1-butyl-3-(1-phenylethyl)benzene.
What is the SMILES notation for 1-butyl-3-(1-phenylethyl)benzene?
The canonical SMILES for 1-butyl-3-(1-phenylethyl)benzene is CCCCc1cccc(C(C)c2ccccc2)c1.
What is the InChIKey of 1-butyl-3-(1-phenylethyl)benzene?
The InChIKey is UMRVSIYTANWSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22/c1-3-4-9-16-10-8-13-18(14-16)15(2)17-11-6-5-7-12-17/h5-8,10-15H,3-4,9H2,1-2H3.
What are the key properties of 1-butyl-3-(1-phenylethyl)benzene?
1-butyl-3-(1-phenylethyl)benzene has a molecular weight of 238.37 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(1-phenylethyl)benzene is sourced from PubChem (CID 141315490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).