1-bromo-3-chloro-5-[chloro-(4-propylphenyl)methyl]benzene

C16H15BrCl2 — CID 107955938

IUPAC1-bromo-3-chloro-5-[chloro-(4-propylphenyl)methyl]benzene
SMILESCCCc1ccc(C(Cl)c2cc(Cl)cc(Br)c2)cc1
InChIInChI=1S/C16H15BrCl2/c1-2-3-11-4-6-12(7-5-11)16(19)13-8-14(17)10-15(18)9-13/h4-10,16H,2-3H2,1H3
InChIKeyGEZAMIGDKNYYKO-UHFFFAOYSA-N
MW358.11 g/mol
LogP6.38
Rot. Bonds4

About 1-bromo-3-chloro-5-[chloro-(4-propylphenyl)methyl]benzene

1-bromo-3-chloro-5-[chloro-(4-propylphenyl)methyl]benzene (PubChem CID 107955938) has the molecular formula C16H15BrCl2 and a molecular weight of 358.11 g/mol. Its IUPAC name is 1-bromo-3-chloro-5-[chloro-(4-propylphenyl)methyl]benzene.

Molecular Properties

Compound Name1-bromo-3-chloro-5-[chloro-(4-propylphenyl)methyl]benzene
PubChem CID107955938
Molecular FormulaC16H15BrCl2
Molecular Weight358.11 g/mol
Exact Mass355.97
IUPAC Name1-bromo-3-chloro-5-[chloro-(4-propylphenyl)methyl]benzene
SMILESCCCc1ccc(C(Cl)c2cc(Cl)cc(Br)c2)cc1
InChIInChI=1S/C16H15BrCl2/c1-2-3-11-4-6-12(7-5-11)16(19)13-8-14(17)10-15(18)9-13/h4-10,16H,2-3H2,1H3
InChIKeyGEZAMIGDKNYYKO-UHFFFAOYSA-N
XLogP6.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.11
LogP ≤ 56.38
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-bromo-3-[(4-bromophenyl)-chloromethyl]-5-chlorobenzene
CID 107955839
N-[(3-bromo-5-chlorophenyl)-(4-propylphenyl)methyl]ethanamine
CID 107945725
1-[chloro-(4-propan-2-ylphenyl)methyl]-4-propylbenzene
CID 63432561
1-bromo-4-chloro-2-[chloro-(4-propylphenyl)methyl]benzene
CID 114027818
4-[chloro-(4-propylphenyl)methyl]-1-fluoro-2-methylbenzene
CID 55199662
4-[chloro-(4-propylphenyl)methyl]-2-methylfuran
CID 114822429
2-[chloro-(4-propylphenyl)methyl]naphthalene
CID 63432067
1-(3,5-dibromophenyl)-N-methyl-1-(4-propylphenyl)methanamine
CID 107975019
1-(3-bromo-5-chlorophenyl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 107945351
1-(3-bromo-5-chlorophenyl)-N-ethyl-3-phenylpropan-1-amine
CID 107945113
[(3,5-dichlorophenyl)-(4-propylphenyl)methyl]hydrazine
CID 105303827
1-[(4-butylphenyl)-chloromethyl]-3,5-dimethylbenzene
CID 63431301

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-chloro-5-[chloro-(4-propylphenyl)methyl]benzene?
The IUPAC name of 1-bromo-3-chloro-5-[chloro-(4-propylphenyl)methyl]benzene (CID 107955938) is 1-bromo-3-chloro-5-[chloro-(4-propylphenyl)methyl]benzene.
What is the SMILES notation for 1-bromo-3-chloro-5-[chloro-(4-propylphenyl)methyl]benzene?
The canonical SMILES for 1-bromo-3-chloro-5-[chloro-(4-propylphenyl)methyl]benzene is CCCc1ccc(C(Cl)c2cc(Cl)cc(Br)c2)cc1.
What is the InChIKey of 1-bromo-3-chloro-5-[chloro-(4-propylphenyl)methyl]benzene?
The InChIKey is GEZAMIGDKNYYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrCl2/c1-2-3-11-4-6-12(7-5-11)16(19)13-8-14(17)10-15(18)9-13/h4-10,16H,2-3H2,1H3.
What are the key properties of 1-bromo-3-chloro-5-[chloro-(4-propylphenyl)methyl]benzene?
1-bromo-3-chloro-5-[chloro-(4-propylphenyl)methyl]benzene has a molecular weight of 358.11 g/mol, XLogP of 6.38, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-chloro-5-[chloro-(4-propylphenyl)methyl]benzene is sourced from PubChem (CID 107955938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).