1-(1-bromo-2-propylpentyl)-4-chlorobenzene

C14H20BrCl — CID 82987632

IUPAC1-(1-bromo-2-propylpentyl)-4-chlorobenzene
SMILESCCCC(CCC)C(Br)c1ccc(Cl)cc1
InChIInChI=1S/C14H20BrCl/c1-3-5-11(6-4-2)14(15)12-7-9-13(16)10-8-12/h7-11,14H,3-6H2,1-2H3
InChIKeyFBEAKWKIEOVQRF-UHFFFAOYSA-N
MW303.67 g/mol
LogP5.99
Rot. Bonds6

About 1-(1-bromo-2-propylpentyl)-4-chlorobenzene

1-(1-bromo-2-propylpentyl)-4-chlorobenzene (PubChem CID 82987632) has the molecular formula C14H20BrCl and a molecular weight of 303.67 g/mol. Its IUPAC name is 1-(1-bromo-2-propylpentyl)-4-chlorobenzene.

Molecular Properties

Compound Name1-(1-bromo-2-propylpentyl)-4-chlorobenzene
PubChem CID82987632
Molecular FormulaC14H20BrCl
Molecular Weight303.67 g/mol
Exact Mass302.04
IUPAC Name1-(1-bromo-2-propylpentyl)-4-chlorobenzene
SMILESCCCC(CCC)C(Br)c1ccc(Cl)cc1
InChIInChI=1S/C14H20BrCl/c1-3-5-11(6-4-2)14(15)12-7-9-13(16)10-8-12/h7-11,14H,3-6H2,1-2H3
InChIKeyFBEAKWKIEOVQRF-UHFFFAOYSA-N
XLogP5.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.67
LogP ≤ 55.99
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-(1-bromo-2-propylpentyl)-4-(2-methoxyethyl)benzene
CID 82988111
1-(4-chlorophenyl)butane-1-thiol
CID 57054877
1-chloro-4-(1-chloropentan-2-yl)benzene
CID 79019451
1-(1-bromoheptyl)-4-chlorobenzene
CID 114753552
1-chloro-4-(1-chloro-3-methylhexan-2-yl)benzene
CID 107893267
1-(4-chlorophenyl)pentane-1,2-diol
CID 103454768
1-chloro-4-(1-chloro-2-methylpentyl)benzene
CID 63429099
N-[1-(4-chlorophenyl)-2-methylpropyl]heptan-4-amine
CID 43687596
2-(4-chlorophenyl)hexan-3-ol
CID 83051446
1-chloro-4-[1-(4-fluorophenyl)butyl]benzene
CID 143326829
3-(4-chlorophenyl)-N-ethylheptan-4-amine
CID 83051946
4-(4-chlorophenyl)heptan-1-amine
CID 83931131

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromo-2-propylpentyl)-4-chlorobenzene?
The IUPAC name of 1-(1-bromo-2-propylpentyl)-4-chlorobenzene (CID 82987632) is 1-(1-bromo-2-propylpentyl)-4-chlorobenzene.
What is the SMILES notation for 1-(1-bromo-2-propylpentyl)-4-chlorobenzene?
The canonical SMILES for 1-(1-bromo-2-propylpentyl)-4-chlorobenzene is CCCC(CCC)C(Br)c1ccc(Cl)cc1.
What is the InChIKey of 1-(1-bromo-2-propylpentyl)-4-chlorobenzene?
The InChIKey is FBEAKWKIEOVQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrCl/c1-3-5-11(6-4-2)14(15)12-7-9-13(16)10-8-12/h7-11,14H,3-6H2,1-2H3.
What are the key properties of 1-(1-bromo-2-propylpentyl)-4-chlorobenzene?
1-(1-bromo-2-propylpentyl)-4-chlorobenzene has a molecular weight of 303.67 g/mol, XLogP of 5.99, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromo-2-propylpentyl)-4-chlorobenzene is sourced from PubChem (CID 82987632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).