1-butyl-4-(4-chlorophenyl)benzene

C16H17Cl — CID 71329795

IUPAC1-butyl-4-(4-chlorophenyl)benzene
SMILESCCCCc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H17Cl/c1-2-3-4-13-5-7-14(8-6-13)15-9-11-16(17)12-10-15/h5-12H,2-4H2,1H3
InChIKeyJMXLIUZWQZWRLV-UHFFFAOYSA-N
MW244.77 g/mol
LogP5.35
Rot. Bonds4

About 1-butyl-4-(4-chlorophenyl)benzene

1-butyl-4-(4-chlorophenyl)benzene (PubChem CID 71329795) has the molecular formula C16H17Cl and a molecular weight of 244.77 g/mol. Its IUPAC name is 1-butyl-4-(4-chlorophenyl)benzene.

Molecular Properties

Compound Name1-butyl-4-(4-chlorophenyl)benzene
PubChem CID71329795
Molecular FormulaC16H17Cl
Molecular Weight244.77 g/mol
Exact Mass244.10
IUPAC Name1-butyl-4-(4-chlorophenyl)benzene
SMILESCCCCc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H17Cl/c1-2-3-4-13-5-7-14(8-6-13)15-9-11-16(17)12-10-15/h5-12H,2-4H2,1H3
InChIKeyJMXLIUZWQZWRLV-UHFFFAOYSA-N
XLogP5.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.77
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-butyl-4-(4-ethylphenyl)benzene;ethane
CID 145367281
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1-butyl-4-phenylbenzene;ethane
CID 143743409
3-[4-(4-chlorophenyl)phenyl]-N,N-dimethylpropan-1-amine
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4-butyl-N-[4-[4-[4-(4-butylanilino)phenyl]phenyl]phenyl]aniline
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3-[4-(4-chlorophenyl)phenyl]propyl-dimethylazanium chloride
CID 10757305
1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethyl]benzene
CID 19906985
1-(chloromethyl)-4-(4-nonylphenyl)benzene
CID 21284608
1-(4-butylphenyl)-3-(3,5-diphenylphenyl)-5-phenylbenzene
CID 142551744
1-chloro-4-(7-hexoxyheptyl)benzene
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1-chloro-4-[4-[(Z)-hex-4-enyl]phenyl]benzene
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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(4-chlorophenyl)benzene?
The IUPAC name of 1-butyl-4-(4-chlorophenyl)benzene (CID 71329795) is 1-butyl-4-(4-chlorophenyl)benzene.
What is the SMILES notation for 1-butyl-4-(4-chlorophenyl)benzene?
The canonical SMILES for 1-butyl-4-(4-chlorophenyl)benzene is CCCCc1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-butyl-4-(4-chlorophenyl)benzene?
The InChIKey is JMXLIUZWQZWRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl/c1-2-3-4-13-5-7-14(8-6-13)15-9-11-16(17)12-10-15/h5-12H,2-4H2,1H3.
What are the key properties of 1-butyl-4-(4-chlorophenyl)benzene?
1-butyl-4-(4-chlorophenyl)benzene has a molecular weight of 244.77 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(4-chlorophenyl)benzene is sourced from PubChem (CID 71329795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).