4-bromo-2-chloro-1-(3-chloro-3-phenylpropyl)benzene

C15H13BrCl2 — CID 113471429

IUPAC4-bromo-2-chloro-1-(3-chloro-3-phenylpropyl)benzene
SMILESClc1cc(Br)ccc1CCC(Cl)c1ccccc1
InChIInChI=1S/C15H13BrCl2/c16-13-8-6-12(15(18)10-13)7-9-14(17)11-4-2-1-3-5-11/h1-6,8,10,14H,7,9H2
InChIKeyJIVKRXBDUKXDPF-UHFFFAOYSA-N
MW344.08 g/mol
LogP6.02
Rot. Bonds4

About 4-bromo-2-chloro-1-(3-chloro-3-phenylpropyl)benzene

4-bromo-2-chloro-1-(3-chloro-3-phenylpropyl)benzene (PubChem CID 113471429) has the molecular formula C15H13BrCl2 and a molecular weight of 344.08 g/mol. Its IUPAC name is 4-bromo-2-chloro-1-(3-chloro-3-phenylpropyl)benzene.

Molecular Properties

Compound Name4-bromo-2-chloro-1-(3-chloro-3-phenylpropyl)benzene
PubChem CID113471429
Molecular FormulaC15H13BrCl2
Molecular Weight344.08 g/mol
Exact Mass341.96
IUPAC Name4-bromo-2-chloro-1-(3-chloro-3-phenylpropyl)benzene
SMILESClc1cc(Br)ccc1CCC(Cl)c1ccccc1
InChIInChI=1S/C15H13BrCl2/c16-13-8-6-12(15(18)10-13)7-9-14(17)11-4-2-1-3-5-11/h1-6,8,10,14H,7,9H2
InChIKeyJIVKRXBDUKXDPF-UHFFFAOYSA-N
XLogP6.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.08
LogP ≤ 56.02
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

4-bromo-2-(3-chloro-3-phenylpropyl)-1-methoxybenzene
CID 63460540
(2S)-4-(4-bromo-2-chlorophenyl)butan-2-amine
CID 131126672
(2R)-2-[(4-bromo-2-chlorophenyl)methylamino]-2-phenylethanol
CID 103766322
1-bromo-2-(3-chloro-3-phenylpropyl)-4-methoxybenzene
CID 65326854
4-bromo-2-chloro-1-(2-chloropropyl)benzene
CID 130480423
2-[(4-bromo-2-chlorophenyl)methylsulfanyl]benzoic acid
CID 113470923
3-bromo-2-(3-chloro-3-phenylpropyl)furan
CID 64507785
4-bromo-2-chloro-1-phenylbenzene
CID 13457416
4-bromo-2-(2-chloro-2-phenylethyl)-1-nitrobenzene
CID 65342405
3-(2,4-dichlorophenyl)-N-ethyl-1-phenylpropan-1-amine
CID 63400282
2-(4-bromo-2-chlorophenyl)-1-(4-fluorophenyl)ethanamine
CID 113471237
3-(3-chloro-3-phenylpropyl)pyridin-4-amine
CID 64507336

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-1-(3-chloro-3-phenylpropyl)benzene?
The IUPAC name of 4-bromo-2-chloro-1-(3-chloro-3-phenylpropyl)benzene (CID 113471429) is 4-bromo-2-chloro-1-(3-chloro-3-phenylpropyl)benzene.
What is the SMILES notation for 4-bromo-2-chloro-1-(3-chloro-3-phenylpropyl)benzene?
The canonical SMILES for 4-bromo-2-chloro-1-(3-chloro-3-phenylpropyl)benzene is Clc1cc(Br)ccc1CCC(Cl)c1ccccc1.
What is the InChIKey of 4-bromo-2-chloro-1-(3-chloro-3-phenylpropyl)benzene?
The InChIKey is JIVKRXBDUKXDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2/c16-13-8-6-12(15(18)10-13)7-9-14(17)11-4-2-1-3-5-11/h1-6,8,10,14H,7,9H2.
What are the key properties of 4-bromo-2-chloro-1-(3-chloro-3-phenylpropyl)benzene?
4-bromo-2-chloro-1-(3-chloro-3-phenylpropyl)benzene has a molecular weight of 344.08 g/mol, XLogP of 6.02, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-1-(3-chloro-3-phenylpropyl)benzene is sourced from PubChem (CID 113471429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).