1-(1-chloropentyl)-4-phenylbenzene

C17H19Cl — CID 63429246

IUPAC1-(1-chloropentyl)-4-phenylbenzene
SMILESCCCCC(Cl)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H19Cl/c1-2-3-9-17(18)16-12-10-15(11-13-16)14-7-5-4-6-8-14/h4-8,10-13,17H,2-3,9H2,1H3
InChIKeyOSZRQGWLVACRRU-UHFFFAOYSA-N
MW258.79 g/mol
LogP5.82
Rot. Bonds5

About 1-(1-chloropentyl)-4-phenylbenzene

1-(1-chloropentyl)-4-phenylbenzene (PubChem CID 63429246) has the molecular formula C17H19Cl and a molecular weight of 258.79 g/mol. Its IUPAC name is 1-(1-chloropentyl)-4-phenylbenzene.

Molecular Properties

Compound Name1-(1-chloropentyl)-4-phenylbenzene
PubChem CID63429246
Molecular FormulaC17H19Cl
Molecular Weight258.79 g/mol
Exact Mass258.12
IUPAC Name1-(1-chloropentyl)-4-phenylbenzene
SMILESCCCCC(Cl)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H19Cl/c1-2-3-9-17(18)16-12-10-15(11-13-16)14-7-5-4-6-8-14/h4-8,10-13,17H,2-3,9H2,1H3
InChIKeyOSZRQGWLVACRRU-UHFFFAOYSA-N
XLogP5.82
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 ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-[4-(1-chloropentyl)phenyl]benzene
CID 22760341
1-hexan-2-yl-4-phenylbenzene
CID 57161678
1-(1-chloroheptyl)-4-methylbenzene
CID 114753474
2-(4-phenylphenyl)hexan-1-amine
CID 121467477
1,3-bis(1-chloropentyl)benzene
CID 175007094
1-chloro-4-(1-chlorooctyl)benzene
CID 63429176
1-(1-chlorooctyl)-4-propan-2-ylbenzene
CID 55199303
1-(1-chloro-2-phenylethyl)-4-phenylbenzene
CID 21425464
1,1'-biphenyl;hexadecane
CID 173308514
1-(1-chloro-2-ethylbutyl)-4-phenylbenzene
CID 63429676
(1-chloro-7-methyloctyl)benzene
CID 83169221
1-(4-phenylphenyl)butan-1-amine
CID 43197430

Frequently Asked Questions

What is the IUPAC name of 1-(1-chloropentyl)-4-phenylbenzene?
The IUPAC name of 1-(1-chloropentyl)-4-phenylbenzene (CID 63429246) is 1-(1-chloropentyl)-4-phenylbenzene.
What is the SMILES notation for 1-(1-chloropentyl)-4-phenylbenzene?
The canonical SMILES for 1-(1-chloropentyl)-4-phenylbenzene is CCCCC(Cl)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(1-chloropentyl)-4-phenylbenzene?
The InChIKey is OSZRQGWLVACRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl/c1-2-3-9-17(18)16-12-10-15(11-13-16)14-7-5-4-6-8-14/h4-8,10-13,17H,2-3,9H2,1H3.
What are the key properties of 1-(1-chloropentyl)-4-phenylbenzene?
1-(1-chloropentyl)-4-phenylbenzene has a molecular weight of 258.79 g/mol, XLogP of 5.82, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloropentyl)-4-phenylbenzene is sourced from PubChem (CID 63429246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).