1-butyl-4-phenylbenzene;ethane

C22H36 — CID 143743409

IUPAC1-butyl-4-phenylbenzene;ethane
SMILESCC.CC.CC.CCCCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H18.3C2H6/c1-2-3-7-14-10-12-16(13-11-14)15-8-5-4-6-9-15;3*1-2/h4-6,8-13H,2-3,7H2,1H3;3*1-2H3
InChIKeyLTSSGTAGYIQREF-UHFFFAOYSA-N
MW300.53 g/mol
LogP7.77
Rot. Bonds4

About 1-butyl-4-phenylbenzene;ethane

1-butyl-4-phenylbenzene;ethane (PubChem CID 143743409) has the molecular formula C22H36 and a molecular weight of 300.53 g/mol. Its IUPAC name is 1-butyl-4-phenylbenzene;ethane.

Molecular Properties

Compound Name1-butyl-4-phenylbenzene;ethane
PubChem CID143743409
Molecular FormulaC22H36
Molecular Weight300.53 g/mol
Exact Mass300.28
IUPAC Name1-butyl-4-phenylbenzene;ethane
SMILESCC.CC.CC.CCCCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H18.3C2H6/c1-2-3-7-14-10-12-16(13-11-14)15-8-5-4-6-9-15;3*1-2/h4-6,8-13H,2-3,7H2,1H3;3*1-2H3
InChIKeyLTSSGTAGYIQREF-UHFFFAOYSA-N
XLogP7.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.53
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(4-butylphenyl)-3-(3,5-diphenylphenyl)-5-phenylbenzene
CID 142551744
1-pentadecyl-4-phenylbenzene
CID 57166115
2-[4-(4-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 134182691
1,3,5-tris(4-phenylphenyl)-2,4,6-tris(4-tetradecylphenyl)benzene
CID 132609480
1-butyl-4-(4-ethylphenyl)benzene;ethane
CID 145367281
4-(4-butylphenyl)-N-phenylaniline
CID 141426915
2-(4-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
CID 15868581
magnesium;1-phenyl-4-propylbenzene;bromide
CID 172966719
N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methylaniline
CID 58250828
4-butyl-N'-(4-phenylbenzoyl)benzohydrazide
CID 4296967
butylbenzene;propylbenzene
CID 142022125
1-octyl-4-(4-octylphenyl)benzene
CID 22766415

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-phenylbenzene;ethane?
The IUPAC name of 1-butyl-4-phenylbenzene;ethane (CID 143743409) is 1-butyl-4-phenylbenzene;ethane.
What is the SMILES notation for 1-butyl-4-phenylbenzene;ethane?
The canonical SMILES for 1-butyl-4-phenylbenzene;ethane is CC.CC.CC.CCCCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-butyl-4-phenylbenzene;ethane?
The InChIKey is LTSSGTAGYIQREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18.3C2H6/c1-2-3-7-14-10-12-16(13-11-14)15-8-5-4-6-9-15;3*1-2/h4-6,8-13H,2-3,7H2,1H3;3*1-2H3.
What are the key properties of 1-butyl-4-phenylbenzene;ethane?
1-butyl-4-phenylbenzene;ethane has a molecular weight of 300.53 g/mol, XLogP of 7.77, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-phenylbenzene;ethane is sourced from PubChem (CID 143743409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).