2-chloro-4-pentyl-1-phenylbenzene

C17H19Cl — CID 139836929

IUPAC2-chloro-4-pentyl-1-phenylbenzene
SMILESCCCCCc1ccc(-c2ccccc2)c(Cl)c1
InChIInChI=1S/C17H19Cl/c1-2-3-5-8-14-11-12-16(17(18)13-14)15-9-6-4-7-10-15/h4,6-7,9-13H,2-3,5,8H2,1H3
InChIKeyBZISISVYDLELKM-UHFFFAOYSA-N
MW258.79 g/mol
LogP5.74
Rot. Bonds5

About 2-chloro-4-pentyl-1-phenylbenzene

2-chloro-4-pentyl-1-phenylbenzene (PubChem CID 139836929) has the molecular formula C17H19Cl and a molecular weight of 258.79 g/mol. Its IUPAC name is 2-chloro-4-pentyl-1-phenylbenzene.

Molecular Properties

Compound Name2-chloro-4-pentyl-1-phenylbenzene
PubChem CID139836929
Molecular FormulaC17H19Cl
Molecular Weight258.79 g/mol
Exact Mass258.12
IUPAC Name2-chloro-4-pentyl-1-phenylbenzene
SMILESCCCCCc1ccc(-c2ccccc2)c(Cl)c1
InChIInChI=1S/C17H19Cl/c1-2-3-5-8-14-11-12-16(17(18)13-14)15-9-6-4-7-10-15/h4,6-7,9-13H,2-3,5,8H2,1H3
InChIKeyBZISISVYDLELKM-UHFFFAOYSA-N
XLogP5.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.79
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-pentyl-2-phenylphenol
CID 154147556
1,4-didecyl-2-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 141240736
(5-pentyl-2-phenylphenyl)boronic acid
CID 68778715
1-hexyl-4-(2-phenylphenyl)benzene;sulfane
CID 158588704
2-(2-chloro-4-hexylphenyl)-5-(2-chlorophenyl)benzene-1,4-diol
CID 16741909
4-pentyl-2-phenylbenzonitrile
CID 156772995
4-butyl-2-(3-fluorophenyl)-1-phenylbenzene
CID 67893585
2-octylazulene
CID 101406191
1-pentadecyl-4-phenylbenzene
CID 57166115
2-(4-methylcyclohexyl)-4-pentyl-1-phenylbenzene
CID 175040539
(4-hexyl-2-phenylphenyl) hydrogen carbonate
CID 66629329
2-octylanthracene-9,10-dione
CID 141254876

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-pentyl-1-phenylbenzene?
The IUPAC name of 2-chloro-4-pentyl-1-phenylbenzene (CID 139836929) is 2-chloro-4-pentyl-1-phenylbenzene.
What is the SMILES notation for 2-chloro-4-pentyl-1-phenylbenzene?
The canonical SMILES for 2-chloro-4-pentyl-1-phenylbenzene is CCCCCc1ccc(-c2ccccc2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-pentyl-1-phenylbenzene?
The InChIKey is BZISISVYDLELKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl/c1-2-3-5-8-14-11-12-16(17(18)13-14)15-9-6-4-7-10-15/h4,6-7,9-13H,2-3,5,8H2,1H3.
What are the key properties of 2-chloro-4-pentyl-1-phenylbenzene?
2-chloro-4-pentyl-1-phenylbenzene has a molecular weight of 258.79 g/mol, XLogP of 5.74, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-pentyl-1-phenylbenzene is sourced from PubChem (CID 139836929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).